Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 7/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3375209 | 1.00 | ADRB2 (0.34) | ADRB2ADRB1CA12CA1CA2 | |
| SCHEMBL3375011 | 0.87 | ALDH1A1 (0.32) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL3373631 | 0.87 | ALDH1A1 (0.32) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL3373893 | 0.87 | ALDH1A1 (0.32) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL3376517 | 0.87 | ADRB1 (0.31) | ADRB2ADRB1ADRB3KDM4EMEN1 | |
| SCHEMBL3375856 | 0.85 | MEN1 (0.33) | MEN1KMT2A | |
| SCHEMBL3373628 | 0.84 | HIF1A (0.36) | ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL14556269 | 0.84 | HIF1A (0.36) | ADRB2ADRB1ADRB3ALDH1A1 | |
| SCHEMBL3375213 | 0.83 | ALOX15 (0.35) | ADRB2ADRB1CA12CA1CA2 | |
| SCHEMBL1081487 | 0.73 | ALDH1A1 (0.37) | MEN1NPC1RAB9AKMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010031713-A1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-03-25 | — | — | WO | disclosed |