Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL395539 | 0.88 | CA2 (0.52) | IDO1LMNAMAPTMEN1RAB9A | |
| SCHEMBL154636 | 0.85 | — | — | |
| Water SCHEMBL27994834 | 0.85 | MAOB (0.73) | MAOBMAOAIDO1CA2CA1 | |
| SCHEMBL6827721 | 0.83 | MAOB (0.70) | MAOBMAOAIDO1CA2CA1 | |
| Hydrochloric Acid SCHEMBL30722972 | 0.83 | MAOB (0.70) | MAOBMAOAIDO1CA2CA1 | |
| SCHEMBL14656590 | 0.83 | MAOB (0.70) | MAOBMAOAIDO1CA2CA1 | |
| SCHEMBL25546850 | 0.81 | MMP3 (0.56) | CA2CA1CYP1B1ABCG2ABCB1 | |
| SCHEMBL16526973 | 0.80 | CYP2A6 (0.57) | MAOBMAOAIDO1LMNAMAPT | |
| SCHEMBL13148721 | 0.80 | CYP2A6 (0.57) | MAOBMAOAIDO1LMNAMAPT | |
| SCHEMBL409605 | 0.80 | CYP2A6 (0.57) | MAOBMAOAIDO1LMNAMAPT |
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-9029353-B2 | Boron-containing small molecules as anti-inflammatory agents | ANACOR PHARMACEUTICALS, INC. (US) | 2015-05-12 | — | — | US | disclosed |