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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.43 |
| ▸ | F2 known ✓ | P00734 | 3/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CXCR6 | O00574 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL27478684 | 0.96 | TACR2 (0.42) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27478683 | 0.96 | TACR2 (0.42) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7495025 | 0.95 | TACR2 (0.44) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27462563 | 0.90 | TACR2 (0.43) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27462564 | 0.90 | TACR2 (0.43) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7496041 | 0.90 | TACR2 (0.43) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7501296 | 0.89 | TACR2 (0.38) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8180260 | 0.88 | L3MBTL1 (0.35) | TACR2TACR1LMNAALDH1A1KMT2A | |
| SCHEMBL7495039 | 0.88 | TACR2 (0.44) | TACR2TACR1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7501302 | 0.83 | TACR2 (0.39) | TACR2TACR1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6448247-B1 | TACHYKININ RECEPTOR ANTAGONIST; ESPECIALLY TO THE RECEPTORS FOR SUBSTANCE P (WHICH RECEPTORS ARE GENERALLY REFERRED TO AS ?NEUROKININ 1 RECEPTORS?) | SANKYO COMPANY, LIMITED (JP) | 2002-09-10 | — | — | US | disclosed |
| EP-0776893-B1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO CO (JP) | 2002-02-27 | — | — | EP | disclosed |
| US-6159967-A | Heterocyclic compounds having tachykinin receptor antagonist activity their preparation and their use | SANKYO COMPANY, LIMITED (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0776893-A1 | Azaheterocyclic compounds having tachykinin receptor antagonist activity; Nk1 and NK2 | SANKYO COMPANY LIMITED (JP) | 1997-06-04 | — | — | EP | disclosed |