Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | EGFR | P00533 | 11/20 | 0.63 |
| ▸ | MAPT | P10636 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | SRC | P12931 | 12/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28159209 | 0.88 | ALDH1A1 (0.58) | NPC1ALDH1A1EGFRMAPTMEN1 | |
| SCHEMBL4106684 | 0.86 | EGFR (0.68) | NPC1ALDH1A1EGFRMAPTMEN1 | |
| SCHEMBL8999160 | 0.86 | NPC1 (0.63) | NPC1ALDH1A1EGFRMAPTMEN1 | |
| SCHEMBL8999049 | 0.84 | EGFR (0.69) | NPC1ALDH1A1EGFRMAPTMEN1 | |
| SCHEMBL8999181 | 0.81 | SRC (0.70) | NPC1ALDH1A1EGFRMAPTMEN1 | |
| SCHEMBL984736 | 0.80 | EGFR (0.65) | NPC1ALDH1A1EGFRMAPTMEN1 | |
| SCHEMBL11811603 | 0.80 | EGFR (0.65) | NPC1ALDH1A1EGFRMAPTSMN1; SMN2 | |
| SCHEMBL30443220 | 0.80 | EGFR (0.65) | NPC1ALDH1A1EGFRMAPTMEN1 | |
| SCHEMBL8999354 | 0.80 | SRC (0.73) | NPC1ALDH1A1EGFRMAPTMEN1 | |
| SCHEMBL3907896 | 0.79 | ENPP2 (0.47) | NPC1ALDH1A1EGFRMAPTMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1917255-A2 | INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007014851-A2 | INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-02-08 | — | — | WO | disclosed |
| US-5556874-A | ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS | WARNER LAMBERT COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| US-5464861-A | Anticarcinogenic agents | WARNER-LAMBERT (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0654024-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003427-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1994-02-17 | — | — | WO | disclosed |