Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7314192 | 0.81 | IDO1 (0.47) | IDO1ALDH1A1MAOBSLC1A5TAAR1 | |
| SCHEMBL10847719 | 0.78 | IDO1 (0.53) | IDO1ALDH1A1CHRM3MAOBPARP15 | |
| SCHEMBL29337772 | 0.77 | TSHR (0.48) | IDO1KDM4EHTTSMN1; SMN2 | |
| SCHEMBL3164232 | 0.77 | TSHR (0.48) | IDO1KDM4EHTTSMN1; SMN2 | |
| SCHEMBL1569297 | 0.77 | TSHR (0.48) | IDO1KDM4EHTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3347482 | 0.76 | TSHR (0.47) | IDO1KDM4EHTTSMN1; SMN2 | |
| SCHEMBL2339888 | 0.75 | IDO1 (0.50) | IDO1ALDH1A1CHRM3MAOBPARP15 | |
| SCHEMBL3131950 | 0.74 | DPP4 (0.47) | IDO1ALDH1A1TAAR1DPP4 | |
| SCHEMBL5225287 | 0.74 | DPP4 (0.47) | IDO1ALDH1A1TAAR1DPP4 | |
| SCHEMBL7955916 | 0.74 | DPP4 (0.47) | IDO1ALDH1A1TAAR1DPP4 |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |