Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | THPO | P40225 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3982634 | 0.88 | TAAR1 (0.50) | CA1CA2CA9CA12CA7 | |
| SCHEMBL11864327 | 0.82 | MAOA (0.46) | CA1CA2CA9CA12CA7 | |
| SCHEMBL14085298 | 0.81 | CHRNB2 (0.51) | CA1CA2CA9CA12CA7 | |
| SCHEMBL9808291 | 0.77 | KCNH2 (0.57) | CA1CA2CA9CA12CA7 | |
| SCHEMBL17188580 | 0.77 | KDM4E (0.56) | CA1CA2CA9CA12CA7 | |
| SCHEMBL17188576 | 0.77 | GRM5 (0.49) | CYP1A2CYP2C19NPC1RAB9AKCNH2 | |
| SCHEMBL17188581 | 0.76 | AGXT (0.61) | CA1CA2CA9CYP1A2NPC1 | |
| SCHEMBL9782182 | 0.75 | MAOB (0.46) | MAOAMAOBLSSNPC1RAB9A | |
| SCHEMBL536433 | 0.75 | MAOB (0.68) | CA1CA2CA9CA12CA7 | |
| SCHEMBL2641181 | 0.75 | CHRNB2 (0.47) | CA1CA2CA9CYP1A2MAOA |
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-9161922-B2 | Amine oxidase inhibitors | CASE WESTERN RESERVE UNIVERSITY (US) | 2015-10-20 | — | — | US | disclosed |