Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29840648 | 0.68 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL3587738 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL29840692 | 0.64 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29840647 | 0.62 | CYP2D6 (0.45) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL3834698 | 0.61 | — | — | |
| SCHEMBL3082762 | 0.60 | NPC1 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL28222979 | 0.60 | CYP2D6 (0.39) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4059082 | 0.60 | MDM2 (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29840680 | 0.59 | CTSS (0.49) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL29840708 | 0.59 | CTSS (0.49) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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-5990135-A | FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA | ABBOTT LABORATORIES (US) | 1999-11-23 | — | — | US | disclosed |