Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9221031 | 0.85 | HRH3 (0.61) | HRH3POLBALDH1A1TSHRRAB9A | |
| SCHEMBL9220147 | 0.79 | EPHX2 (0.59) | HTTPOLBALDH1A1RAB9ANPC1 | |
| SCHEMBL17674317 | 0.78 | HTT (0.50) | HTTALDH1A1TSHRATMNPSR1 | |
| SCHEMBL6255707 | 0.78 | KDM4E (0.56) | HRH3HTTALDH1A1KMT2A | |
| SCHEMBL22462125 | 0.76 | HTT (0.51) | HTTALDH1A1TSHRATMNPSR1 | |
| SCHEMBL30289817 | 0.76 | HTT (0.51) | HTTALDH1A1TSHRATMNPSR1 | |
| SCHEMBL1700604 | 0.75 | TSHR (0.55) | HTTALDH1A1TSHRATMNPSR1 | |
| SCHEMBL7342269 | 0.75 | ALDH1A1 (0.51) | HTTALDH1A1TSHRATMNPSR1 | |
| SCHEMBL6483838 | 0.75 | CYP1A2 (0.53) | ALDH1A1TSHRRAB9ANPC1TP53 | |
| SCHEMBL6482657 | 0.75 | CYP1A2 (0.53) | ALDH1A1TSHRRAB9ANPC1TP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5420348-A | Enzyme inhibitors | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1995-05-30 | — | — | US | disclosed |
| EP-0447116-B1 | Urea derivatives, their production, and pharmaceutical compositions containing them | YAMANOUCHI PHARMA CO LTD (JP) | 1994-12-14 | — | — | EP | disclosed |
| US-5258405-A | Acetyl coenzyme A cholesterol acetyltransferase inhibitors for cardiovascular disorders and atherosclerosis and antilipemic agents | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1993-11-02 | — | — | US | disclosed |
| EP-0447116-A1 | Urea derivatives, their production, and pharmaceutical compositions containing them | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1991-09-18 | — | — | EP | disclosed |