Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 7/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 7/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 7/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2657155 | 0.83 | ALDH1A1 (0.36) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL23529930 | 0.81 | STAT3 (0.39) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL7003468 | 0.81 | GABRA1 (0.35) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL31226333 | 0.80 | GABRA1 (0.35) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL31226222 | 0.80 | ALDH1A1 (0.34) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL31226119 | 0.79 | GABRA1 (0.40) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL31226190 | 0.79 | MAPT (0.33) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL23529933 | 0.78 | GABRA1 (0.41) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL31226150 | 0.77 | KDM4E (0.47) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL23530071 | 0.77 | GABRA1 (0.34) | ALDH1A1MAPTGABRA1GABRG2GABRB3 |
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-1107967-B1 | TRIAZOLOPYRIDAZINE DERIVATIVES FOR ENHANCING COGNITION | MERCK SHARP & DOHME (GB) | 2003-05-14 | — | — | EP | disclosed |