Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY1 | P47900 | 6/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.44 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PPIA | P62937 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | GPR6 | P46095 | 1/20 | 0.44 |
| ▸ | MET | P08581 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6452431 | 0.86 | KMT2A (0.61) | P2RY1CYP1A2CYP2C19KDM4EMEN1 | |
| SCHEMBL8780580 | 0.80 | CYP1A2 (0.50) | P2RY1CYP1A2CYP2C19KDM4EKMT2A | |
| SCHEMBL8780571 | 0.80 | KDR (0.47) | RAB9AGPR6MET | |
| SCHEMBL8780572 | 0.80 | MET (0.47) | CYP1A2CYP2C19KDM4ERAB9AALDH1A1 | |
| SCHEMBL8780581 | 0.79 | RAB9A (0.47) | CYP1A2CYP2C19KDM4EMEN1KMT2A | |
| SCHEMBL8780568 | 0.78 | NPC1 (0.53) | CYP1A2CYP2C19KDM4EKMT2ARAB9A | |
| SCHEMBL8780574 | 0.76 | NPC1 (0.49) | CYP1A2CYP2C19KDM4EKMT2ARAB9A | |
| SCHEMBL7645488 | 0.75 | KDM4E (0.74) | P2RY1CYP1A2CYP2C19KDM4EMEN1 | |
| SCHEMBL11247737 | 0.73 | KMT2A (0.64) | CYP1A2CYP2C19KDM4EMEN1KMT2A | |
| SCHEMBL11234692 | 0.73 | KMT2A (0.47) | CYP1A2CYP2C19KDM4EMEN1KMT2A |
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-0806414-A1 | Intermediates for herbicidal carboxamide derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1997-11-12 | — | — | EP | disclosed |