Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11764839 | 0.88 | HDAC3 (0.41) | ALDH1A1ANPEPEPHX1CNR2KDM4E | |
| SCHEMBL11762307 | 0.85 | HDAC3 (0.44) | ALDH1A1ANPEPEPHX1CNR2KDM4E | |
| SCHEMBL11764217 | 0.84 | NPC1 (0.44) | ALDH1A1ANPEPEPHX1CNR2KDM4E | |
| SCHEMBL11765167 | 0.83 | ANPEP (0.40) | ALDH1A1ANPEPEPHX1KDM4EACHE | |
| SCHEMBL11332669 | 0.83 | ALDH1A1 (0.50) | ALDH1A1ANPEPEPHX1KDM4EACHE | |
| SCHEMBL11770708 | 0.79 | TP53 (0.49) | ALDH1A1ANPEPEPHX1CNR2KDM4E | |
| SCHEMBL11341863 | 0.77 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL8665828 | 0.75 | LMNA (0.53) | EPHX1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17197988 | 0.73 | CES2 (0.53) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8670880 | 0.73 | EPHX1 (0.51) | ALDH1A1ANPEPEPHX1KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4059609-A | HERBICIDE, NEMATOCIDE, FUNGICIDE | PPG INDUSTRIES, INC. (US) | 1977-11-22 | — | — | US | disclosed |