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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 4/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22774920 | 0.83 | CYP1A2 (0.40) | CA2CA9ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL4501254 | 0.80 | — | — | |
| SCHEMBL10306549 | 0.80 | — | — | |
| SCHEMBL39751 | 0.80 | — | — | |
| Lithium SCHEMBL30565132 | 0.76 | — | — | |
| SCHEMBL31691655 | 0.75 | — | — | |
| SCHEMBL11068395 | 0.74 | — | — | |
| Ethylene Glycol SCHEMBL2178632 | 0.73 | CA2 (0.44) | CA2CA9ALDH1A1CA1CYP2C19 | |
| Ethylene Glycol SCHEMBL1559508 | 0.73 | CA2 (0.44) | CA2CA9ALDH1A1CA1CYP2C19 | |
| Ethylene Glycol SCHEMBL1560560 | 0.73 | CA2 (0.44) | CA2CA9ALDH1A1CA1CYP2C19 |
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-6342503-B1 | ANTIDEPRESSANTS, EATING DISORDERS | DUPONT PHARMACEUTICALS COMPANY | 2002-01-29 | — | — | US | disclosed |
| US-6107301-A | PSYCHOLOGICAL DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-08-22 | — | — | US | disclosed |
| EP-0723533-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995010506-A1 | 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-04-20 | — | — | WO | disclosed |