Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1A | P07327 | 5/20 | 0.37 |
| ▸ | ADH1C | P00326 | 4/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | PHGDH | O43175 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12672679 | 0.96 | ADH1A (0.32) | ADH1AADH1CCYP2D6PIK3CD | |
| SCHEMBL27389259 | 0.89 | PIK3CD (0.33) | PIK3CD | |
| SCHEMBL10195705 | 0.88 | CYP1A2 (0.38) | ADH1AADH1CADH1BALDH1A1TSHR | |
| SCHEMBL14208370 | 0.83 | CYP1A2 (0.31) | ADH1AADH1CCYP1A2 | |
| SCHEMBL17056102 | 0.83 | SHBG (0.39) | ADH1AADH1CADH1BALDH1A1TSHR | |
| SCHEMBL19150105 | 0.80 | ALDH1A1 (0.38) | ADH1AADH1CADH1BALDH1A1TSHR | |
| SCHEMBL10285127 | 0.78 | ADH1A (0.38) | ADH1AADH1CADH1BSHBGCYP1A2 | |
| SCHEMBL25541701 | 0.77 | HRH3 (0.35) | ALDH1A1HRH3 | |
| SCHEMBL21155046 | 0.77 | — | — | |
| SCHEMBL21537297 | 0.77 | ADH1C (0.33) | ADH1AADH1C |
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-9758492-B2 | IDO inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-12 | — | — | US | disclosed |