Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 4/20 | 0.55 |
| ▸ | DRD3 known ✓ | P35462 | 4/20 | 0.55 |
| ▸ | NAMPT | P43490 | 14/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL81982 | 1.00 | NAMPT (0.69) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| SCHEMBL82410 | 0.97 | NAMPT (0.73) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| SCHEMBL82411 | 0.97 | NAMPT (0.73) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| SCHEMBL82978 | 0.96 | NAMPT (0.72) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| SCHEMBL82944 | 0.96 | NAMPT (0.72) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| Hydrochloric Acid SCHEMBL82427 | 0.96 | NAMPT (0.72) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| SCHEMBL83219 | 0.96 | NAMPT (0.72) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| Hydrochloric Acid SCHEMBL82428 | 0.96 | NAMPT (0.72) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| SCHEMBL83846 | 0.96 | NAMPT (0.72) | NAMPTCYP3A4CYP2C9ALOX5DRD2 | |
| SCHEMBL83218 | 0.96 | NAMPT (0.72) | NAMPTCYP3A4CYP2C9ALOX5DRD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4607319-B2 | — | — | 2011-01-05 | — | — | JP | claimed |
| US-20100227896-A1 | USE OF VITAMIN PP COMPOUNDS | ASTELLAS DEUTSCHLAND GMBH (DE) | 2010-09-09 | — | — | US | claimed |
| EP-1079832-B1 | USE OF VITAMIN PP COMPOUNDS | KLINGE CO CHEM PHARM FAB (DE) | 2005-11-30 | — | — | EP | claimed |
| US-20040029861-A1 | Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression | KLINGE PHARMA GMBH | 2004-02-12 | — | — | US | claimed |
| EP-0912176-B1 | USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION | FUJISAWA DEUTSCHLAND GMBH (DE) | 2002-09-25 | — | — | EP | claimed |
| JP-2002512190-A | — | — | 2002-04-23 | — | — | JP | claimed |
| EP-1079832-A1 | USE OF VITAMIN PP COMPOUNDS | Klinge Pharma GmbH (DE) | 2001-03-07 | — | — | EP | claimed |
| WO-1999053920-A1 | USE OF VITAMIN PP COMPOUNDS | KLINGE PHARMA GMBH (DE) | 1999-10-28 | — | — | WO | claimed |
| US-20100227896-A1 | USE OF VITAMIN PP COMPOUNDS | ASTELLAS DEUTSCHLAND GMBH (DE) | 2010-09-09 | — | — | US | disclosed |
| EP-1079832-B1 | USE OF VITAMIN PP COMPOUNDS | KLINGE CO CHEM PHARM FAB (DE) | 2005-11-30 | — | — | EP | disclosed |
| US-20040029861-A1 | Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression | KLINGE PHARMA GMBH | 2004-02-12 | — | — | US | disclosed |
| EP-0912176-B1 | USE OF PYRIDYL ALKANE, PYRIDYL ALKENE AND/OR PYRIDYL ALKINE ACID AMIDES IN THE TREATMENT OF TUMORS OR FOR IMMUNOSUPPRESSION | FUJISAWA DEUTSCHLAND GMBH (DE) | 2002-09-25 | — | — | EP | disclosed |
| US-6451816-B1 | Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression | KLINGE PHARMA GMBH (DE) | 2002-09-17 | — | — | US | disclosed |
| EP-1079832-A1 | USE OF VITAMIN PP COMPOUNDS | Klinge Pharma GmbH (DE) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999053920-A1 | USE OF VITAMIN PP COMPOUNDS | KLINGE PHARMA GMBH (DE) | 1999-10-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040029861-A1 | Use of pyridyl alkane, pyridyl alkene and/or pyridyl alkine acid amides in the treatment of tumors or for immunosuppression | ALK, IDO1, PDXK | DRD2 3633/4885DRD3 4072/4885NAMPT 464/4885 |
| US-20100227896-A1 | USE OF VITAMIN PP COMPOUNDS | PNPO, NAMPT, NAPRT | DRD2 4023/4885DRD3 4289/4885NAMPT 2/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.