Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 3/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8981456 | 0.97 | NPC1 (0.47) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8914809 | 0.97 | NPC1 (0.47) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8914782 | 0.96 | NPC1 (0.47) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8918352 | 0.94 | RAB9A (0.47) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8915311 | 0.91 | NPC1 (0.45) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8915922 | 0.91 | NPC1 (0.46) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8916270 | 0.91 | RAB9A (0.49) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8915675 | 0.90 | NPC1 (0.52) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8914258 | 0.90 | NPC1 (0.45) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 | |
| SCHEMBL8916237 | 0.89 | NPC1 (0.46) | ALDH1A1NPC1RAB9ACYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5616581-A | BACTERICIDES | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-04-01 | — | — | US | disclosed |
| US-5504082-A | BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1996-04-02 | — | — | US | disclosed |
| EP-0644191-A1 | PYRIDINE COMPOUND AND MEDICINAL USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1995-03-22 | — | — | EP | disclosed |