Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | MEN1 | O00255 | 4/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.67 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | NPY1R | P25929 | 1/20 | 0.67 |
| ▸ | NPY2R | P49146 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 6/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.52 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | UBE2I | P63279 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6186570 | 0.84 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL6847834 | 0.81 | ALDH1A1 (1.00) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL6187040 | 0.80 | NGFR (0.42) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL6189554 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL13684493 | 0.76 | ALDH1A1 (0.75) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL16733406 | 0.74 | ALDH1A1 (0.71) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL28808509 | 0.74 | MEN1 (0.72) | ALDH1A1MEN1KMT2APOLBPKM | |
| SCHEMBL6187358 | 0.73 | F2R (0.51) | ALDH1A1MEN1KMT2APKMKDM4E | |
| SCHEMBL6185251 | 0.73 | HPGD (0.47) | ALDH1A1MEN1KMT2AMAPTGAA | |
| SCHEMBL6184844 | 0.72 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2APOLBPKM |
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-1554271-A1 | SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS | Rigel Pharmaceuticals, Inc. (US) | 2005-07-20 | — | — | EP | disclosed |
| WO-2004035571-A1 | SUBSTITUTED INDOLES AND THEIR USE AS HCV INHIBITORS | RIGEL PHARMACEUTICALS, INC. (US) | 2004-04-29 | — | — | WO | disclosed |