Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6188852 | 0.87 | RAB9A (0.55) | SMN1; SMN2TSHRRAB9AMAPTHTT | |
| SCHEMBL6185392 | 0.76 | MAOA (0.49) | SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL6187015 | 0.76 | ULK1 (0.49) | SMN1; SMN2POLB | |
| SCHEMBL6991349 | 0.75 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRRAB9AMAPTHTT | |
| SCHEMBL6188508 | 0.75 | MAOA (0.51) | SMN1; SMN2RAB9ANPC1ALDH1A1CYP1A2 | |
| SCHEMBL7141202 | 0.73 | HTR1F (0.69) | SMN1; SMN2RAB9AMAPTNPC1ALDH1A1 | |
| SCHEMBL6191071 | 0.73 | TUBB1 (0.44) | TSHRRAB9AMAPTNPC1ALDH1A1 | |
| SCHEMBL4653584 | 0.72 | SMN1; SMN2 (1.00) | SMN1; SMN2TSHRRAB9AHTTNPC1 | |
| SCHEMBL6189495 | 0.72 | PARP1 (0.45) | RAB9AMAPTNPC1ALDH1A1KMT2A | |
| SCHEMBL6481723 | 0.72 | SMN1; SMN2 (0.55) | SMN1; SMN2TSHRRAB9AMAPTHTT |
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 |