Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MASP2 | O00187 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL28576926 | 0.78 | HCRTR1 (0.35) | — | |
| SCHEMBL8611787 | 0.76 | HSP90AA1 (0.50) | ALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL20677809 | 0.71 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ANPSR1KDM4E | |
| SCHEMBL2276872 | 0.71 | ALDH1A1 (0.59) | ALDH1A1NPC1RAB9ANPSR1KDM4E | |
| SCHEMBL4105962 | 0.70 | AAK1 (0.56) | ALDH1A1NPC1RAB9ANPSR1KDM4E | |
| SCHEMBL9775944 | 0.70 | AOC3 (0.38) | ALDH1A1NPC1RAB9AKDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL31596380 | 0.69 | MAPT (0.57) | ALDH1A1NPC1RAB9ANPSR1KDM4E | |
| SCHEMBL27617458 | 0.69 | KDM4E (0.38) | ALDH1A1RAB9AKDM4ETP53SMN1; SMN2 | |
| SCHEMBL13266816 | 0.69 | SMN1; SMN2 (0.42) | ALDH1A1NPC1RAB9ANPSR1KDM4E | |
| SCHEMBL8278828 | 0.68 | — | — |
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-0711768-B1 | BENZIMIDAZOLE DERIVATIVE | MITSUI CHEMICALS INC (JP) | 2002-02-13 | — | — | EP | disclosed |
| US-5852011-A | Benzimidazole derivatives | MITSUI CHEMICALS, INC. (JP) | 1998-12-22 | — | — | US | disclosed |
| EP-0711768-A1 | BENZIMIDAZOLE DERIVATIVE | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-05-15 | — | — | EP | disclosed |