Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1862188 | 0.79 | IDO1 (0.38) | IDO1CYP3A4DAOCYP2C19KMT2A | |
| SCHEMBL1859774 | 0.79 | LTA4H (0.55) | IDO1KDM4ECYP2C19CYP1A2TAAR1 | |
| SCHEMBL1857797 | 0.78 | CALM1 (0.55) | CYP3A4HIF1AKMT2ALTA4HMEN1 | |
| SCHEMBL1149394 | 0.76 | IDO1 (0.58) | SRD5A2IDO1CYP3A4DAOKMT2A | |
| SCHEMBL11410252 | 0.76 | IDO1 (0.58) | SRD5A2IDO1CYP3A4DAOKMT2A | |
| SCHEMBL11844782 | 0.75 | IDO1 (0.46) | SRD5A2IDO1CYP3A4DAOCYP1A2 | |
| SCHEMBL10389845 | 0.75 | RAB9A (0.53) | SRD5A2IDO1KMT2AALOX12TAAR1 | |
| SCHEMBL14270799 | 0.73 | CYP3A4 (0.42) | SRD5A2CYP3A4CYP2C19KMT2ACYP1A2 | |
| SCHEMBL1859752 | 0.72 | TAAR1 (0.39) | KDM4ETAAR1LTA4HMAPTNPC1 | |
| SCHEMBL14397402 | 0.71 | CYP3A4 (0.47) | SRD5A2IDO1CYP3A4DAOKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-7939509-B2 | Partial and full agonists of A1 adenosine receptors | GILEAD SCIENCES, INC. (US) | 2011-05-10 | — | — | US | disclosed |