Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.41 |
| ▸ | KDR | P35968 | 2/20 | 0.41 |
| ▸ | KIT | P10721 | 1/20 | 0.41 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8780568 | 0.85 | NPC1 (0.53) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL6452431 | 0.81 | KMT2A (0.61) | CYP1A2CYP2C19KDM4EMAPTP2RY1 | |
| SCHEMBL8780571 | 0.81 | KDR (0.47) | NPC1RAB9ASMN1; SMN2GAAS1PR3 | |
| SCHEMBL8780573 | 0.80 | P2RY1 (0.48) | CYP1A2CYP3A4CYP2C19RAB9APOLB | |
| SCHEMBL8780574 | 0.79 | NPC1 (0.49) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL8780581 | 0.78 | RAB9A (0.47) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL8780572 | 0.77 | MET (0.47) | CYP1A2CYP3A4CYP2C19NPC1RAB9A | |
| SCHEMBL7617870 | 0.73 | KDM4E (0.69) | CYP1A2CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18049326 | 0.69 | LOXL2 (0.77) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11247737 | 0.68 | KMT2A (0.64) | CYP1A2CYP2C19NPC1LMNAKDM4E |
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 |