Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | FAAH | O00519 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5599029 | 0.87 | GABRA1 (0.53) | GABRA1CA1CA2GABRG2GABRB3 | |
| SCHEMBL5598897 | 0.80 | CA1 (0.57) | GABRA1CA1CA2GABRG2GABRB3 | |
| SCHEMBL5599056 | 0.77 | TSHR (0.46) | GABRA1CA1CA2GABRG2GABRB3 | |
| SCHEMBL5599052 | 0.75 | LMNA (0.50) | GABRA1CA1CA2GABRG2GABRB3 | |
| SCHEMBL6901879 | 0.75 | SLC6A2 (0.42) | GABRA1CA1CA2GABRG2GABRB3 | |
| SCHEMBL28739291 | 0.75 | FAAH (0.53) | GABRA1CA1CA2GABRG2GABRB3 | |
| SCHEMBL5598708 | 0.74 | TSHR (0.52) | GABRA1CA1CA2GABRG2GABRB3 | |
| SCHEMBL4316925 | 0.73 | TSHR (0.58) | GABRA1CA1CA2GABRG2GABRB3 | |
| Propofol SCHEMBL4320593 | 0.72 | GABRA1 (0.71) | GABRA1CA1CA2GABRG2GABRB3 | |
| SCHEMBL4310559 | 0.72 | GABRA1 (0.59) | GABRA1CA1CA2GABRG2GABRB3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1430017-A2 | SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION | Theravance, Inc. (US) | 2004-06-23 | — | — | EP | disclosed |
| WO-2003026632-A2 | SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION | THERAVANCE, INC. (US) | 2003-04-03 | — | — | WO | disclosed |