Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8090699 | 0.88 | ALDH1A1 (0.37) | ALDH1A1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL8077039 | 0.87 | ALDH1A1 (0.36) | ALDH1A1TDP1CYP3A4PTPRCS100A4 | |
| SCHEMBL10697020 | 0.87 | ALDH1A1 (0.36) | ALDH1A1TDP1CYP3A4PTPRCS100A4 | |
| SCHEMBL8085331 | 0.86 | HSD17B10 (0.38) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL8088445 | 0.85 | ADORA3 (0.41) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL8084998 | 0.85 | ALDH1A1 (0.34) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL8088352 | 0.84 | KDM4E (0.37) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL7268307 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4PTPRCS100A4 | |
| SCHEMBL8088693 | 0.83 | PDE7A (0.33) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL8085141 | 0.83 | RECQL (0.44) | ALDH1A1TDP1MALT1CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6153627-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-28 | — | — | US | disclosed |
| US-6040308-A | Chroman derivatives | MERCK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-03-21 | — | — | US | disclosed |
| US-5387587-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-07 | — | — | US | disclosed |