Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.37 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.37 |
| ▸ | CYP2A7 | P20853 | 1/20 | 0.37 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.37 |
| ▸ | CYP2F1 | P24903 | 1/20 | 0.37 |
| ▸ | CYP2C18 | P33260 | 1/20 | 0.37 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17514701 | 0.80 | ABL1 (0.51) | CYP3A4CYP1A2ALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL13729626 | 0.77 | RAB9A (0.44) | ALDH1A1LMNAMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL11739704 | 0.76 | APP (0.44) | CYP3A4CYP1A2ALDH1A1LMNACYP2C19 | |
| SCHEMBL7576137 | 0.75 | ABL1 (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL28148029 | 0.74 | PTGS2 (0.44) | ALDH1A1TSHRSMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL13729257 | 0.74 | CREBBP (0.41) | — | |
| SCHEMBL2588281 | 0.74 | KDM1A (0.44) | CYP3A4CYP1A2ALDH1A1LMNACYP2C9 | |
| SCHEMBL157951 | 0.73 | — | — | |
| SCHEMBL13728896 | 0.72 | RECQL (0.41) | ALDH1A1LMNASMN1; SMN2L3MBTL1HPGD | |
| SCHEMBL13729001 | 0.72 | HSP90AA1 (0.43) | ALDH1A1MAPTSMN1; SMN2HPGDRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012146535-A1 | PROCESS FOR THE PREPARATION OF 2-SUBSTITUTED 2,4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONES | BASF SE (DE) | 2012-11-01 | — | — | WO | disclosed |