Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL10392162 | 1.00 | CYP2C19 (0.47) | CYP2C19LMNAKCNH2CYP2D6CYP2C9 | |
| SCHEMBL10391802 | 0.91 | CYP2C19 (0.49) | CYP2C19LMNACYP2D6CYP2C9ALDH1A1 | |
| SCHEMBL9821063 | 0.90 | L3MBTL1 (0.44) | CYP2C19LMNAKCNH2CYP2D6CYP2C9 | |
| SCHEMBL10392970 | 0.87 | ALDH1A1 (0.46) | CYP2C19TSHRALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL10391814 | 0.87 | ALDH1A1 (0.46) | CYP2C19TSHRALDH1A1L3MBTL1MAPK1 | |
| SCHEMBL9821253 | 0.86 | ALDH1A1 (0.37) | CYP2C19LMNACYP2D6TSHRHTT | |
| SCHEMBL9549175 | 0.83 | HTT (0.42) | LMNACYP2D6TSHRHTTALDH1A1 | |
| SCHEMBL9549309 | 0.83 | HTT (0.42) | LMNACYP2D6TSHRHTTALDH1A1 | |
| SCHEMBL9549530 | 0.83 | HTT (0.42) | LMNACYP2D6TSHRHTTALDH1A1 | |
| SCHEMBL9549286 | 0.83 | HTT (0.42) | LMNACYP2D6TSHRHTTALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0410976-A4 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | — | 1991-10-16 | — | — | EP | disclosed |
| EP-0410976-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1991-02-06 | — | — | EP | disclosed |
| US-4957731-A | CONDITIONERS, QUATERNIZED LACTAMS | GAF CHEMICALS CORPORATION (US) | 1990-09-18 | — | — | US | disclosed |
| US-4952559-A | Fragrance additive | GAF CHEMICALS CORPORATION (US) | 1990-08-28 | — | — | US | disclosed |
| US-4885158-A | Heat stable quaternized lactams having oxylated sulfur anions | GAF CORPORATION (US) | 1989-12-05 | — | — | US | disclosed |
| WO-1989010115-A1 | HAIR PROCESSING ADDITIVES | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |
| WO-1989010358-A1 | HEAT STABLE QUATERNIZED LACTAMS HAVING OXYLATED SULFUR ANIONS | GAF CHEMICALS CORPORATION (US) | 1989-11-02 | — | — | WO | disclosed |