Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | APLNR | P35414 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | MMP13 | P45452 | 2/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4860400 | 0.86 | CA1 (0.42) | ALDH1A1LMNAKDM4EUSP2MMP9 | |
| SCHEMBL6981260 | 0.83 | LMNA (0.48) | ALDH1A1LMNAKDM4EUSP2MMP9 | |
| SCHEMBL7002076 | 0.83 | TSHR (0.44) | ALDH1A1LMNAKDM4EUSP2MMP9 | |
| SCHEMBL8902034 | 0.82 | ALDH1A1 (0.44) | ALDH1A1LMNAKDM4EUSP2MMP9 | |
| SCHEMBL18740520 | 0.81 | APLNR (0.44) | ALDH1A1TSHRAPLNRHTTMMP13 | |
| SCHEMBL11043932 | 0.79 | CA1 (0.44) | ALDH1A1APLNRMMP13CA1CA2 | |
| SCHEMBL13527883 | 0.79 | KDM4E (0.52) | ALDH1A1LMNAKDM4EUSP2MMP9 | |
| SCHEMBL17501637 | 0.78 | MAPT (0.50) | ALDH1A1LMNAKDM4EUSP2MMP9 | |
| SCHEMBL1845841 | 0.76 | APLNR (0.53) | ALDH1A1LMNAKDM4EUSP2MMP9 | |
| SCHEMBL11994156 | 0.74 | CYP17A1 (0.49) | ALDH1A1LMNAMMP9TSHRCNR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994025427-A1 | ETHANOLAMINE DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1994-11-10 | — | — | WO | disclosed |