Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL28311933 | 0.82 | TSHR (0.35) | SLC6A2SLC6A4ALOX5APTSHRKDM4E | |
| SCHEMBL2659054 | 0.81 | GABRA1 (0.47) | GABRA1GABRB2SLC6A2SLC6A4ALOX5AP | |
| SCHEMBL3960659 | 0.80 | GABRA1 (0.60) | GABRA1GABRB2SLC6A2SLC6A4GABRG2 | |
| SCHEMBL7863918 | 0.79 | GABRA1 (0.40) | GABRA1GABRB2TSHRKDM4EALDH1A1 | |
| SCHEMBL14983825 | 0.79 | GABRA1 (0.46) | GABRA1GABRB2SLC6A2SLC6A4ALOX5AP | |
| SCHEMBL26463373 | 0.77 | PNMT (0.39) | TSHRKDM4EALDH1A1SMN1; SMN2PLAU | |
| SCHEMBL6457244 | 0.76 | AR (0.39) | TSHRKDM4EALDH1A1HPGDMAPK1 | |
| SCHEMBL7806420 | 0.76 | PDK2 (0.35) | KDM4EALDH1A1PLAU | |
| SCHEMBL9685552 | 0.76 | CHRNE (0.37) | TSHRKDM4EALDH1A1SMN1; SMN2PLAU | |
| SCHEMBL10798754 | 0.76 | PLAU (0.36) | TSHRKDM4EALDH1A1HPGDSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0245053-B1 | HETEROCYCLIC FUSED TRICYCLIC COMPOUNDS | ICI AMERICAS INC. (US) | 1992-11-25 | — | — | EP | disclosed |
| US-5118688-A | TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS | ICI AMERICAS INC. (US) | 1992-06-02 | — | — | US | disclosed |
| US-4975435-A | Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety | ICI AMERICAS INC. (US) | 1990-12-04 | — | — | US | disclosed |
| EP-0245053-A1 | Heterocyclic fused tricyclic compounds | ICI AMERICAS INC. (US) | 1987-11-11 | — | — | EP | disclosed |