Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5231776 | 0.92 | ESRRA (0.32) | KDM4ENPC1RAB9AKMT2ACYP1A2 | |
| SCHEMBL5236797 | 0.91 | — | — | |
| SCHEMBL5236128 | 0.91 | NPC1 (0.34) | KDM4ENPC1RAB9AKMT2ACA12 | |
| SCHEMBL5233446 | 0.91 | NPC1 (0.35) | KDM4ENPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL5234344 | 0.90 | ESRRA (0.31) | — | |
| SCHEMBL5231417 | 0.90 | HRH3 (0.36) | KDM4EKMT2AHRH3TRPV1ALDH1A1 | |
| SCHEMBL5233835 | 0.89 | KCNJ1 (0.32) | KMT2AALDH1A1MAPT | |
| SCHEMBL5234129 | 0.89 | ADORA3 (0.37) | KDM4EKMT2ACA12CA1CA2 | |
| SCHEMBL5232934 | 0.89 | KDM4E (0.30) | KDM4EALDH1A1 | |
| SCHEMBL5238208 | 0.89 | ALDH1A1 (0.38) | KDM4ENPC1RAB9ACA12CA1 |
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-1730116-B1 | 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2007-09-05 | — | — | EP | claimed |