Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL28216864 | 0.88 | CYP2A6 (0.45) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| Benzene SCHEMBL28255073 | 0.87 | DAO (0.46) | TSHRTDP1SMN1; SMN2LMNAKMT2A | |
| SCHEMBL9016 | 0.84 | — | — | |
| SCHEMBL15349416 | 0.84 | CES2 (0.43) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL9682634 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL4970561 | 0.82 | — | — | |
| Bromide SCHEMBL4972227 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL28815401 | 0.82 | — | — | |
| Methane SCHEMBL1154428 | 0.82 | — | — | |
| SCHEMBL10516774 | 0.82 | — | — |
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-107406566-A | Polyisocyantates composition, polyurethane resin and coating | 三井化学株式会社 | 2017-11-28 | — | — | CN | disclosed |