Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | AHR | P35869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4725088 | 0.99 | CYP3A4 (0.48) | CYP3A4NPC1MEN1KMT2ARAB9A | |
| SCHEMBL4725360 | 0.91 | POLB (0.50) | CYP3A4NPC1MEN1KMT2ARAB9A | |
| SCHEMBL4725045 | 0.89 | KMT2A (0.48) | CYP3A4NPC1MEN1KMT2ARAB9A | |
| SCHEMBL4727611 | 0.89 | ABL1 (0.51) | CYP3A4CYP2C9ADORA3 | |
| SCHEMBL4777946 | 0.88 | DEGS1 (0.47) | NPC1MEN1KMT2ARAB9AMAOB | |
| Hydrochloric Acid SCHEMBL4725333 | 0.88 | ABL1 (0.50) | CYP3A4NPC1RAB9ACYP2C9ADORA3 | |
| SCHEMBL4726809 | 0.88 | ABL1 (0.56) | MAOBMAPT | |
| SCHEMBL4726122 | 0.87 | KDR (0.46) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4779689 | 0.87 | SERPINE1 (0.49) | MEN1KMT2ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4725931 | 0.86 | CYP3A4 (0.49) | CYP3A4NPC1MEN1KMT2ARAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008021725-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | claimed |
| WO-2008021725-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |
| WO-2008021725-A2 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |