Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.35 |
| ▸ | PARP14 | Q460N5 | 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 | |
|---|---|---|---|---|
| SCHEMBL7265238 | 0.88 | ALDH1A1 (0.49) | PDPK1TPMTALDH1A1MAPK1CA1 | |
| SCHEMBL3282092 | 0.76 | PARP1 (0.45) | RAB9AKMT2A | |
| SCHEMBL6666485 | 0.76 | CES2 (0.48) | CES2BCHECES1RIPK1ALDH1A1 | |
| SCHEMBL5451331 | 0.75 | MAOB (0.44) | GRIN2BCES2CES1RIPK1TPMT | |
| SCHEMBL7264886 | 0.75 | RAB9A (0.47) | PDPK1RAB9AKMT2AMAOB | |
| SCHEMBL6967661 | 0.74 | CES2 (0.47) | CES2BCHECES1RIPK1ALDH1A1 | |
| SCHEMBL723768 | 0.74 | CXCL8 (0.56) | GRIN2BCES2BCHECES1RIPK1 | |
| SCHEMBL30846134 | 0.73 | HTR2A (0.42) | PDPK1TPMTALDH1A1CA1CA2 | |
| SCHEMBL11205828 | 0.73 | RIPK1 (0.46) | CES2BCHECES1RIPK1ALDH1A1 | |
| SCHEMBL70282 | 0.73 | MAPK1 (0.54) | CES1ALDH1A1MAPK1RAB9AKMT2A |
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-0835252-A1 | TRIAZOLE ANTIFUNGAL AGENTS | Pfizer Research and Development Company, N.V./S.A. (IE) | 1998-04-15 | — | — | EP | disclosed |