Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL474878 | 0.85 | AURKA (0.45) | NPC1KDM4EGPR84RAB9ASNCA | |
| SCHEMBL16880265 | 0.78 | GPR84 (0.57) | NPC1PARP1MEN1KMT2AMAPK1 | |
| SCHEMBL7087961 | 0.78 | GPR84 (0.44) | NPC1MAPK1GPR84 | |
| SCHEMBL31396294 | 0.77 | NPC1 (0.45) | NPC1PARP1KMT2AKDM4EMAP2K4 | |
| SCHEMBL3578888 | 0.76 | LMNA (0.53) | NPC1PARP1MEN1KMT2AKDM4E | |
| SCHEMBL3578858 | 0.76 | NPC1 (0.46) | NPC1PARP1MEN1KMT2AKDM4E | |
| SCHEMBL6418376 | 0.73 | NR4A2 (0.51) | NPC1PARP1KDM4EATMMAPT | |
| SCHEMBL3546474 | 0.72 | NPC1 (0.45) | NPC1PARP1MEN1KMT2AKDM4E | |
| SCHEMBL3567460 | 0.72 | TUBB4A (0.49) | NPC1PARP1KMT2AKDM4ERAB9A | |
| SCHEMBL20875014 | 0.72 | NR4A2 (0.46) | NPC1PARP1MAP2K4RAB9ACREBBP |
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-2411001-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2012-02-01 | — | — | EP | disclosed |
| WO-2010111060-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME CORP. (US) | 2010-09-30 | — | — | WO | disclosed |