Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3225589 | 0.86 | NR1I2 (0.41) | HSD17B10ALDH1A1TSHRNPSR1F10 | |
| SCHEMBL6118223 | 0.79 | NPC1 (0.52) | HSD17B10TSHRF10RAB9AEPHX2 | |
| SCHEMBL6117317 | 0.77 | RAB9A (0.50) | ALDH1A1NPSR1RAB9ANPC1KDM4E | |
| SCHEMBL6117524 | 0.76 | NPC1 (0.50) | ALDH1A1RAB9ANPC1KDM4E | |
| SCHEMBL9104595 | 0.76 | ALDH1A1 (0.43) | HSD17B10ALDH1A1F10RAB9ATAS1R3 | |
| SCHEMBL2095013 | 0.74 | RAB9A (0.58) | ALDH1A1F10RAB9ANPC1 | |
| SCHEMBL7978840 | 0.74 | KMT2A (0.49) | HSD17B10ALDH1A1TSHRNPSR1F10 | |
| SCHEMBL6117229 | 0.74 | RAB9A (0.61) | ALDH1A1TSHRF10RAB9ANPC1 | |
| SCHEMBL6116601 | 0.74 | NPC1 (0.50) | ALDH1A1RAB9ANPC1KDM4E | |
| SCHEMBL11227261 | 0.73 | HSD17B1 (0.55) | ALDH1A1TSHRF10KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2300460-A1 | 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | Wyeth LLC (US) | 2011-03-30 | — | — | EP | disclosed |
| WO-2010030727-A1 | 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH LLC (US) | 2010-03-18 | — | — | WO | disclosed |
| WO-2009155042-A1 | 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-12-23 | — | — | WO | disclosed |