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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6843056 | 0.93 | USP2 (0.38) | POLBMAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL4625538 | 0.91 | KDM4E (0.45) | POLBMAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6847147 | 0.86 | HPGD (0.47) | POLBMAPTALDH1A1SMN1; SMN2NPC1 | |
| Nitric Acid SCHEMBL8345678 | 0.85 | MAPK1 (0.45) | POLBMAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7048424 | 0.81 | ALDH1A1 (0.40) | POLBMAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6848106 | 0.81 | HPGD (0.42) | MAPTALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL6843072 | 0.79 | CYP2A6 (0.32) | ALDH1A1KDM4ESMN1; SMN2STS | |
| SCHEMBL4626526 | 0.75 | HPGD (0.54) | POLBMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL6848030 | 0.73 | ALDH1A1 (0.33) | ALDH1A1KDM4E | |
| SCHEMBL4626490 | 0.67 | CYP2A6 (0.39) | ALDH1A1KDM4ESMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1139990-B1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KGAA (DE) | 2004-05-06 | — | — | EP | claimed |