Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | CASP1 | P29466 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL17164822 | 0.80 | NPC1 (0.61) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL29642010 | 0.79 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL27845405 | 0.78 | HTT (0.41) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL30501661 | 0.77 | CYP1A2 (0.47) | ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29168494 | 0.77 | CYP1A2 (0.47) | ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8055454 | 0.77 | NPC1 (0.57) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL7048352 | 0.77 | NPC1 (0.57) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL20981992 | 0.77 | NPC1 (0.57) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL219324 | 0.77 | PDGFRB (0.59) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL18700380 | 0.76 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9APOLBMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2321296-A1 | SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-05-18 | — | — | EP | disclosed |