Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30816126 | 0.80 | ALDH1A1 (0.44) | HTR2ARETIDO1ALDH1A1RAB9A | |
| SCHEMBL5086903 | 0.78 | HTR2A (0.46) | HTR2ARETIDO1RAB9A | |
| SCHEMBL660714 | 0.75 | HTR2A (0.43) | HTR2ARETIDO1ALDH1A1RAB9A | |
| SCHEMBL7397055 | 0.75 | RAB9A (0.44) | HTR2ARETALDH1A1RAB9ALMNA | |
| SCHEMBL7343966 | 0.75 | ALDH1A1 (0.44) | HTR2ARETALDH1A1RAB9ALMNA | |
| SCHEMBL23921624 | 0.75 | HTR2A (0.43) | HTR2ARETIDO1ALDH1A1RAB9A | |
| SCHEMBL8551292 | 0.75 | RAB9A (0.48) | HTR2ARETIDO1ALDH1A1RAB9A | |
| SCHEMBL660713 | 0.75 | ALDH1A1 (0.44) | HTR2ARETIDO1ALDH1A1RAB9A | |
| SCHEMBL25180650 | 0.75 | ALDH1A1 (0.41) | HTR2ARETIDO1ALDH1A1RAB9A | |
| SCHEMBL9810549 | 0.75 | ALDH1A1 (0.41) | HTR2ARETIDO1ALDH1A1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6589962-B1 | Certain alpha -hydroxy- gamma -(((carbocyclic- or heterocyclic- substituted)amino)carbonyl)alkanamide derivatives are described as inhibitors of HIV protease and inhibitors of HIV replication. These compounds are useful in | MERCK & CO., INC. | 2003-07-08 | — | — | US | disclosed |
| US-4711960-A | HYPOTENSIVE, ANTIPSYCHOTIC AGENTS | THE UPJOHN COMPANY (US) | 1987-12-08 | — | — | US | disclosed |
| US-4577021-A | PSYCHOLOGICAL DISORDERS, HYPOTENSIVE | THE UPJOHN COMPANY (US) | 1986-03-18 | — | — | US | disclosed |
| US-4487774-A | Isochromans | THE UPJOHN COMPANY (US) | 1984-12-11 | — | — | US | disclosed |