Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | HPD | P32754 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10885557 | 0.87 | MCL1 (0.82) | MCL1MAPK1ALDH1A1HPGDKMT2A | |
| SCHEMBL1720192 | 0.84 | MAPK1 (0.64) | MCL1MAPK1ALDH1A1MEN1HPGD | |
| SCHEMBL1720821 | 0.82 | MCL1 (0.70) | MCL1MAPK1CES2CES1HSD11B1 | |
| SCHEMBL8131947 | 0.81 | MCL1 (0.68) | MCL1MAPK1HSD11B1ALDH1A1 | |
| SCHEMBL7922437 | 0.79 | MCL1 (0.70) | MCL1MAPK1ALDH1A1TSHRLMNA | |
| SCHEMBL27314925 | 0.79 | MCL1 (0.70) | MCL1MAPK1MGLLALDH1A1HPGD | |
| SCHEMBL8144387 | 0.79 | MCL1 (0.70) | MCL1MAPK1CES2CES1MGLL | |
| SCHEMBL1720195 | 0.79 | MCL1 (0.70) | MCL1MAPK1CES2CES1ALDH1A1 | |
| SCHEMBL600072 | 0.78 | MCL1 (1.00) | MCL1MAPK1ALDH1A1LMNA | |
| SCHEMBL1855141 | 0.78 | HSD11B1 (0.60) | CES2CES1KDM2BHSD11B1MGLL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4652559-A | ANALGESIC, ANTIDEPRESSANT | THE UPJOHN COMPANY (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0085811-B1 | 2-(PHENYLMETHYLENE)CYCLOALKYLAMINES | THE UPJOHN COMPANY (US) | 1986-05-07 | — | — | EP | disclosed |
| US-4540690-A | ANALGESICS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1985-09-10 | — | — | US | disclosed |
| EP-0085811-A1 | 2-(Phenylmethylene)cycloalkylamines | THE UPJOHN COMPANY (US) | 1983-08-17 | — | — | EP | disclosed |