Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.61 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.50 |
| ▸ | DRD4 | P21917 | 2/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688159 | 0.88 | ALDH1A1 (0.59) | HSP90AA1HSP90AB1ALDH1A1KDM4EHTT | |
| SCHEMBL6131990 | 0.81 | ALDH1A1 (0.71) | ALDH1A1KDM4EHTTLMNATSHR | |
| Hydrochloric Acid SCHEMBL6131775 | 0.81 | ALDH1A1 (0.70) | ALDH1A1KDM4EHTTLMNATSHR | |
| SCHEMBL6131989 | 0.79 | ALDH1A1 (0.57) | ALDH1A1KDM4EHTTLMNATSHR | |
| SCHEMBL22418861 | 0.79 | HTT (0.70) | ALDH1A1KDM4EHTTLMNATSHR | |
| Hydrochloric Acid SCHEMBL6131850 | 0.77 | ALDH1A1 (0.55) | ALDH1A1KDM4EHTTLMNATSHR | |
| SCHEMBL11828367 | 0.77 | ALDH1A1 (0.60) | ALDH1A1KDM4EHTTLMNATSHR | |
| SCHEMBL11817430 | 0.76 | ALDH1A1 (0.66) | ALDH1A1KDM4EHTTLMNATSHR | |
| SCHEMBL487922 | 0.76 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1ALDH1A1KDM4ELMNA | |
| SCHEMBL8251966 | 0.76 | MAPT (0.66) | ALDH1A1KDM4EHTTLMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0358676-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1990-03-21 | — | — | EP | disclosed |
| WO-1988008424-A1 | PHARMACEUTICALLY ACTIVE AMINES | THE UPJOHN COMPANY (US) | 1988-11-03 | — | — | WO | disclosed |