Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL28928747 | 0.80 | HTT (0.42) | CYP1A2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL28903606 | 0.74 | CYP2A6 (0.54) | CYP2A6TDP1CYP1A2RAB9AAGXT | |
| SCHEMBL11091951 | 0.74 | CYP1A2 (0.52) | CYP2A6TDP1CYP1A2AGXTMAPT | |
| SCHEMBL20993998 | 0.73 | RECQL (0.38) | CYP1A2NPC1RAB9AMAPTPOLB | |
| SCHEMBL8736868 | 0.72 | TDP1 (0.60) | CYP2A6TDP1CYP1A2NPC1RAB9A | |
| SCHEMBL24842380 | 0.71 | RECQL (0.37) | CYP1A2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL28502361 | 0.71 | AGXT (0.48) | CYP2A6TDP1CYP1A2AGXTMAPT | |
| SCHEMBL10627535 | 0.70 | KMT2A (0.75) | TDP1CYP1A2NPC1RAB9AMAPT | |
| SCHEMBL30096394 | 0.69 | CYP2A6 (0.47) | CYP2A6TDP1CYP1A2AGXTMAPT | |
| SCHEMBL6339023 | 0.69 | CYP2A6 (0.47) | CYP2A6TDP1CYP1A2AGXTMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2774923-A1 | METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE | National University Corporation Nagoya University (JP) | 2014-09-10 | — | — | EP | disclosed |