Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ACE | P12821 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14563400 | 0.86 | CYP2D6 (0.49) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL8941719 | 0.82 | CYP2D6 (0.52) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL15577108 | 0.82 | CYP2D6 (0.43) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL14563318 | 0.80 | CYP2D6 (0.72) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL15577087 | 0.79 | CYP2D6 (0.49) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL15577104 | 0.79 | CYP2D6 (0.44) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL87947 | 0.78 | CYP2D6 (0.50) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL28379100 | 0.78 | CYP2D6 (0.50) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| SCHEMBL29107614 | 0.78 | CYP2D6 (0.50) | CYP2D6ALDH1A1POLBKDM4ENPC1 | |
| Alcohol SCHEMBL28865888 | 0.77 | CYP2D6 (0.50) | CYP2D6ALDH1A1POLBKDM4ENPC1 |
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-5670661-A | Process for producing lactones and lactones obtained with this process | INDUSTRIE CHIMICHE CAFFARO S.P.A. (IT) | 1997-09-23 | — | — | US | disclosed |
| EP-0008482-B1 | PROCESS FOR THE PREPARATION OF DELTA KETO-ACIDS AND DERIVATIVES THEREOF | STAMICARBON B.V. (NL) | 1983-04-20 | — | — | EP | disclosed |
| US-4291170-A | A,B-UNSATURATED ESTER, KETONE, PRIMARY AMINE OR SCHIFF BASE, ACID | STAMICARBON, B.V. (NL) | 1981-09-22 | — | — | US | disclosed |