Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ATM | Q13315 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6851890 | 0.81 | NPC1 (0.53) | NPC1POLBRAB9AALDH1A1MAPT | |
| SCHEMBL29843637 | 0.81 | POLB (0.57) | NPC1POLBRAB9AALDH1A1MAPT | |
| SCHEMBL506632 | 0.81 | POLB (0.57) | NPC1POLBRAB9AALDH1A1MAPT | |
| SCHEMBL31588535 | 0.81 | POLB (0.57) | NPC1POLBRAB9AALDH1A1MAPT | |
| SCHEMBL2009640 | 0.81 | NPC1 (0.57) | NPC1POLBRAB9AALDH1A1MAPT | |
| SCHEMBL738379 | 0.81 | NPC1 (0.57) | NPC1POLBRAB9AALDH1A1MAPT | |
| SCHEMBL28153180 | 0.79 | POLB (0.55) | NPC1POLBRAB9AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL21436092 | 0.79 | NPC1 (0.55) | NPC1POLBRAB9AALDH1A1MAPT | |
| Fluoride SCHEMBL28218511 | 0.79 | POLB (0.55) | NPC1POLBRAB9AALDH1A1MAPT | |
| Quinoline SCHEMBL28269682 | 0.77 | ALDH1A1 (0.59) | NPC1POLBRAB9AALDH1A1MAPT |
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-2593107-A1 | TYROSINE KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012009194-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |