Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.39 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1041432 | 0.74 | CYP1A2 (0.55) | CYP1A2CYP2A6CYP11B1CYP11B2CYP2D6 | |
| SCHEMBL12592172 | 0.72 | NPC1 (0.54) | RAB9ANPC1KDM4EMEN1ALDH1A1 | |
| SCHEMBL18347012 | 0.72 | CYP1A2 (0.52) | CYP1A2CYP2A6CYP11B1CYP11B2CYP2D6 | |
| SCHEMBL13241165 | 0.72 | MAOB (0.50) | CYP1A2CYP2A6CYP11B1CYP11B2CYP2D6 | |
| SCHEMBL1402626 | 0.72 | CYP1A2 (0.55) | CYP1A2CYP2A6CYP2D6MTNR1AMTNR1B | |
| SCHEMBL5255266 | 0.71 | CYP1A2 (0.40) | CYP1A2CYP2A6CYP11B1CYP11B2CYP2D6 | |
| SCHEMBL13241170 | 0.71 | MAOB (0.56) | CYP1A2CYP2A6CYP11B1CYP11B2CYP2D6 | |
| SCHEMBL29972803 | 0.70 | CYP1A2 (0.53) | CYP1A2CYP2A6CYP11B1CYP11B2CYP2D6 | |
| SCHEMBL443271 | 0.70 | CYP1A2 (0.57) | CYP1A2CYP2A6CYP2D6CYP3A4CYP2C9 | |
| SCHEMBL5510892 | 0.70 | CYP1A2 (0.59) | CYP1A2CYP2A6CYP11B1CYP11B2MTNR1A |
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-6805978-B2 | COMPLEX CONTAINING DIKETOPYRROLO(3,4-C)PYRROLE COMPOUND | TORAY INDUSTRIES, INC. (JP) | 2004-10-19 | — | — | US | disclosed |