Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.55 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4533564 | 0.96 | PTGS1 (0.58) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL2222717 | 0.82 | CYP1A2 (0.61) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL6336756 | 0.82 | TTR (0.57) | CYP1A2PTGS1AKR1C3AKR1C2KDM4E | |
| (Chloromethyl)Benzene SCHEMBL29265517 | 0.81 | CYP1A2 (0.68) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL1338429 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP2A6TTR | |
| SCHEMBL29367032 | 0.81 | CYP2A6 (0.80) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL30443467 | 0.81 | CYP1A2 (0.42) | CYP1A2CYP2A6TTR | |
| SCHEMBL443528 | 0.81 | CYP2A6 (0.80) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL15118332 | 0.81 | PTGS1 (0.59) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL8155849 | 0.81 | CYP1A2 (0.60) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104507913-A | Antiproliferative benzo[b]azepin-2-ones | HOFFMANN LA ROCHE | 2015-04-08 | — | — | CN | disclosed |