Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10697144 | 1.00 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4ETSHRMCHR1 | |
| SCHEMBL10698993 | 0.87 | ALDH1A1 (0.46) | ALDH1A1LMNAKDM4ETSHRMCHR1 | |
| SCHEMBL10698984 | 0.87 | ALDH1A1 (0.46) | ALDH1A1LMNAKDM4ETSHRMCHR1 | |
| SCHEMBL2657694 | 0.78 | RAB9A (0.41) | ALDH1A1LMNAKDM4EGAAALOX15 | |
| SCHEMBL10698716 | 0.78 | MAPT (0.44) | ALDH1A1LMNAKDM4EHTR2AADRA2A | |
| Hydrochloric Acid SCHEMBL10699712 | 0.74 | ALDH1A1 (0.43) | ALDH1A1LMNAKDM4ETSHR | |
| Water SCHEMBL10698996 | 0.74 | ALDH1A1 (0.40) | ALDH1A1LMNAKDM4ETSHRCYP3A4 | |
| SCHEMBL6189047 | 0.73 | MCHR1 (0.57) | ALDH1A1LMNATSHRMCHR1CYP3A4 | |
| SCHEMBL6189048 | 0.73 | MCHR1 (0.57) | ALDH1A1LMNATSHRMCHR1CYP3A4 | |
| SCHEMBL5186871 | 0.71 | DRD2 (0.46) | ALDH1A1KDM4EDRD2SLC6A4 |
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-0280873-A1 | Piperidines, medicines containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-09-07 | — | — | EP | disclosed |