Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CRHBP | P24387 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL27502168 | 0.95 | CYP2D6 (0.61) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| Nitrobenzene SCHEMBL27704476 | 0.90 | ALDH1A1 (0.67) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL132216 | 0.89 | TSHR (0.67) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL29385659 | 0.89 | TSHR (0.67) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| Dinitrophenylene SCHEMBL27675225 | 0.86 | CYP1A2 (0.59) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL4171963 | 0.85 | TSHR (0.62) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| Dinitrophenylene SCHEMBL27738928 | 0.85 | LMNA (0.68) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| Dinitrophenylene SCHEMBL27290631 | 0.84 | TSHR (0.58) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12826413 | 0.82 | TSHR (0.54) | TSHRLMNACYP1A2CYP2D6CYP2C9 | |
| Dinitrophenylene SCHEMBL27707690 | 0.82 | TSHR (0.85) | TSHRLMNAALDH1A1ACHESMN1; 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 |
|---|---|---|---|---|---|---|---|
| CN-104610525-A | Halogen-free environment-friendly polyurethane oil paint and preparation method thereof | NANJING TONGYUAN NEW MATERIAL TECHNOLOGY CO LTD | 2015-05-13 | — | — | CN | disclosed |