Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | IFNAR1 | P17181 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10089369 | 0.88 | EGFR (0.39) | DHFRNPC1RAB9APOLBCYP2C9 | |
| SCHEMBL12445186 | 0.80 | EGFR (0.36) | NPC1RAB9APOLBCYP2C9CYP2C19 | |
| SCHEMBL5129072 | 0.77 | CYP3A4 (0.43) | CYP2C9CYP2C19CYP3A4IDH1PDCD1 | |
| SCHEMBL10089370 | 0.77 | BCHE (0.44) | CYP2C9CYP2C19CYP3A4IDH1TDP1 | |
| SCHEMBL13508862 | 0.75 | HTR7 (0.38) | CYP2C9CYP2C19CYP3A4IDH1TDP1 | |
| SCHEMBL3680169 | 0.74 | MAOA (0.45) | DHFRNPC1RAB9ACYP1A2ALDH1A1 | |
| SCHEMBL13508864 | 0.73 | TDP1 (0.37) | CYP2C9CYP2C19CYP3A4TDP1ALDH1A1 | |
| SCHEMBL10089343 | 0.73 | EGFR (0.37) | NPC1RAB9APOLBCYP2C9CYP2C19 | |
| SCHEMBL10089345 | 0.70 | HSD11B1 (0.40) | ALDH1A1LMNAHPGDHTT | |
| SCHEMBL17500079 | 0.70 | CYP1A2 (0.48) | CYP1A2ALDH1A1MAOAMAOBLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2359930-A1 | A polymer prepared in the presence of metal complexes bearing a polydentate heteroatom ligand | Dow Global Technologies LLC (US) | 2011-08-24 | — | — | EP | disclosed |