Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TLR4 | O00206 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | CTSS | P25774 | 2/20 | 0.39 |
| ▸ | CTSK | P43235 | 2/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14845917 | 0.91 | ALDH1A1 (0.44) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL8206719 | 0.91 | ALDH1A1 (0.44) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL12767740 | 0.91 | ALDH1A1 (0.44) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL3337341 | 0.79 | ALDH1A1 (0.56) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL3337347 | 0.79 | ALDH1A1 (0.56) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL4083307 | 0.79 | ALDH1A1 (0.56) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL4083309 | 0.79 | ALDH1A1 (0.56) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL4356663 | 0.79 | ALDH1A1 (0.52) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL4356664 | 0.79 | ALDH1A1 (0.52) | CPB1ALDH1A1GAACA1CA2 | |
| SCHEMBL13823476 | 0.78 | CPB1 (0.53) | CPB1ALDH1A1GAACA1CA2 |
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-1978804-B1 | AMINOCYCLOHEXANES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK SHARP & DOHME (US) | 2014-07-30 | — | — | EP | disclosed |