Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.41 |
| ▸ | ERCC1 | P07992 | 2/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 2/20 | 0.41 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL353358 | 0.89 | ERCC1 (0.47) | ALDH1A1MAPTKDM4ELMNAHPGD | |
| Hydrochloric Acid SCHEMBL355184 | 0.87 | ERCC1 (0.46) | ALDH1A1MAPTKDM4ELMNAHPGD | |
| SCHEMBL8115 | 0.82 | ALDH1A1 (0.64) | ALDH1A1MAPTRECQLMCL1KDM4E | |
| Acetic Acid SCHEMBL9815635 | 0.81 | MAPT (0.52) | ALDH1A1MAPTRECQLMCL1KDM4E | |
| SCHEMBL28031995 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTRECQLMCL1KDM4E | |
| SCHEMBL27943840 | 0.80 | ALDH1A1 (0.61) | ALDH1A1MAPTRECQLMCL1KDM4E | |
| Water SCHEMBL11613453 | 0.80 | ALDH1A1 (0.61) | ALDH1A1MAPTRECQLMCL1KDM4E | |
| SCHEMBL28024607 | 0.80 | ALDH1A1 (0.61) | ALDH1A1MAPTRECQLMCL1KDM4E | |
| Hydrochloric Acid SCHEMBL1683326 | 0.80 | ALDH1A1 (0.61) | ALDH1A1MAPTRECQLMCL1KDM4E | |
| Bromide SCHEMBL28400204 | 0.80 | ALDH1A1 (0.61) | ALDH1A1MAPTRECQLMCL1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1185516-B1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES THAT HAVE AN ADENOSINE UPTAKE INHIBITING EFFECT | BAYER AG (DE) | 2003-05-02 | — | — | EP | disclosed |
| EP-1185516-A1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES THAT HAVE AN ADENOSINE UPTAKE INHIBITING EFFECT | Bayer Aktiengesellschaft (DE) | 2002-03-13 | — | — | EP | disclosed |
| WO-2000073275-A1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES THAT HAVE AN ADENOSINE UPTAKE INHIBITING EFFECT | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-07 | — | — | WO | disclosed |