Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL14443187 | 0.88 | ALDH1A1 (0.43) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL11060991 | 0.80 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL7094868 | 0.80 | ALDH1A1 (0.67) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL17064864 | 0.80 | ALDH1A1 (0.49) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL7093157 | 0.78 | ALDH1A1 (0.70) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL256700 | 0.77 | — | — | |
| SCHEMBL21654312 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1ALOX15USP2HPGD | |
| SCHEMBL14805808 | 0.77 | CHRM2 (0.67) | ALDH1A1TDP1MEN1MAPTKMT2A | |
| SCHEMBL221257 | 0.75 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP3A4ALOX15USP2 | |
| SCHEMBL28079650 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999038993-A1 | COMBINATORIAL QUINOLONE LIBRARY | PHARMACOPEIA, INC. (US) | 1999-08-05 | — | — | WO | claimed |