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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 7/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8600626 | 0.85 | EPHX1 (0.41) | EPHX1CA12CA7CA14CA9 | |
| SCHEMBL14764831 | 0.80 | CA12 (0.42) | EPHX1CA12CA7CA14CA9 | |
| SCHEMBL14845771 | 0.79 | CA12 (0.38) | EPHX1CA12CA7CA14CA9 | |
| Methyl Alcohol SCHEMBL891537 | 0.78 | — | — | |
| Hydrogen Peroxide SCHEMBL2220600 | 0.78 | — | — | |
| Cycloheptane SCHEMBL23885013 | 0.78 | ACHE (0.43) | EPHX1CA12CA7CA14CA9 | |
| Cyclohexane SCHEMBL3670822 | 0.78 | ACHE (0.43) | EPHX1CA12CA7CA14CA9 | |
| SCHEMBL5189 | 0.78 | — | — | |
| SCHEMBL9791506 | 0.78 | ACHE (0.43) | EPHX1CA12CA7CA14CA9 | |
| SCHEMBL15121491 | 0.78 | ACHE (0.43) | EPHX1CA12CA7CA14CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5750532-A | TETRAHYDROPYRIMIDINE-2,4-DIONE DERIVATIVES, VIRICIDES, ANTIINFLAMMATORY AGENTS, PAF INHIBITORS | SCHERING CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |
| US-5459144-A | Enterovirus and rhinovirus antiviral, antiinflammatory and antagonist of platelet activating factor | SCHERING CORPORATION (US) | 1995-10-17 | — | — | US | disclosed |
| EP-0274867-B1 | Pharmaceutically active compounds | SCHERING CORP (US) | 1994-04-13 | — | — | EP | disclosed |
| US-5272167-A | Pharmaceutically active compounds | SCHERING CORPORATION (US) | 1993-12-21 | — | — | US | disclosed |
| EP-0560407-A1 | Pharmaceutically active compounds | SCHERING CORPORATION (US) | 1993-09-15 | — | — | EP | disclosed |
| WO-1991000858-A1 | PHARMACEUTICALLY ACTIVE COMPOUNDS | SCHERING CORPORATION (US) | 1991-01-24 | — | — | WO | disclosed |
| EP-0407217-A1 | Pharmaceutically active compounds | SCHERING CORPORATION (US) | 1991-01-09 | — | — | EP | disclosed |
| US-4851423-A | Pharmaceutically active compounds | SCHERING CORPORATION (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0274867-A2 | Pharmaceutically active compounds | SCHERING CORPORATION (US) | 1988-07-20 | — | — | EP | disclosed |