Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL9806260 | 0.84 | CES1 (0.50) | ALDH1A1TSHRCES2CES1AKR1B1 | |
| SCHEMBL11339635 | 0.84 | CES1 (0.50) | ALDH1A1TSHRCES2CES1AKR1B1 | |
| SCHEMBL531194 | 0.84 | CES1 (0.50) | ALDH1A1TSHRCES2CES1AKR1B1 | |
| SCHEMBL9809316 | 0.82 | CES1 (0.48) | ALDH1A1TSHRCES2CES1AKR1B1 | |
| SCHEMBL9580934 | 0.82 | CES1 (0.48) | ALDH1A1TSHRCES2CES1AKR1B1 | |
| SCHEMBL60657 | 0.79 | ALDH1A1 (0.58) | CYP3A4CYP2C9ALDH1A1TSHRAKR1C3 | |
| Ammonia Solution, Strong SCHEMBL28447731 | 0.77 | ALDH1A1 (0.56) | CYP3A4CYP2C9ALDH1A1TSHRAKR1C3 | |
| SCHEMBL27855636 | 0.77 | ALDH1A1 (0.56) | CYP3A4CYP2C9ALDH1A1TSHRAKR1C3 | |
| SCHEMBL11801120 | 0.77 | ALDH1A1 (0.56) | CYP3A4CYP2C9ALDH1A1TSHRAKR1C3 | |
| SCHEMBL11789205 | 0.76 | CYP3A4 (0.55) | CYP3A4CYP2C9ALDH1A1TSHRAKR1C3 |
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-0262348-A2 | Process for the preparation of N-substituted morpholine and piperidine derivatives | HÜLS AKTIENGESELLSCHAFT (DE) | 1988-04-06 | — | — | EP | disclosed |