Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27316600 | 0.79 | CYP2C9 (0.41) | CYP2C9ALDH1A1TSHRALOX15ALOX5 | |
| SCHEMBL11024287 | 0.76 | CYP2C9 (0.39) | CYP2C9ALDH1A1TSHRALOX15ALOX5 | |
| SCHEMBL6182009 | 0.76 | MAPK1 (0.35) | ALDH1A1TSHRNR4A1MYCKDM4E | |
| SCHEMBL7399872 | 0.76 | CLCN2 (0.40) | CYP2C9ALDH1A1TSHRALOX15ALOX5 | |
| SCHEMBL10580245 | 0.76 | CYP2C9 (0.39) | CYP2C9ALDH1A1TSHRALOX15ALOX5 | |
| SCHEMBL6530620 | 0.72 | ALDH1A1 (0.50) | CYP2C9ALDH1A1TSHRALOX15ALOX5 | |
| SCHEMBL9237663 | 0.72 | MAPK1 (0.33) | — | |
| SCHEMBL18936173 | 0.72 | ALDH1A1 (0.44) | CYP2C9ALDH1A1TSHRALOX15ALOX5 | |
| SCHEMBL27710338 | 0.71 | ALDH1A1 (0.48) | CYP2C9ALDH1A1TSHRALOX15ALOX5 | |
| Water SCHEMBL27710341 | 0.71 | ALDH1A1 (0.48) | CYP2C9ALDH1A1TSHRALOX15ALOX5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1063440-C | Process for the desulfurization and the desalting of fossil fuels | RHONE ROULENC AGROCHIMIE CORP (FR) | 2001-03-21 | — | — | CN | disclosed |
| WO-1995025099-A1 | 2-CYANO-1,3-DIONE DERIVATIVES USEFUL AS HERBICIDES | RHONE-POULENC AGRICULTURE LTD. (GB) | 1995-09-21 | — | — | WO | disclosed |