Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.67 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | USP2 | O75604 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.55 |
| ▸ | CCR3 | P51677 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304622 | 1.00 | S1PR1 (0.67) | S1PR1MCHR1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL11389788 | 0.88 | MCHR1 (0.61) | S1PR1MCHR1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL11389782 | 0.88 | MCHR1 (0.61) | S1PR1MCHR1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL3452738 | 0.87 | S1PR1 (0.60) | S1PR1MCHR1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL3452734 | 0.87 | S1PR1 (0.60) | S1PR1MCHR1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL7304903 | 0.83 | KDM4E (0.70) | S1PR1MCHR1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL7304896 | 0.83 | KDM4E (0.70) | S1PR1MCHR1KDM4ESMN1; SMN2MEN1 | |
| SCHEMBL947749 | 0.81 | S1PR1 (1.00) | S1PR1KDM4ESMN1; SMN2MEN1LMNA | |
| SCHEMBL947750 | 0.81 | S1PR1 (1.00) | S1PR1KDM4ESMN1; SMN2MEN1LMNA | |
| Hydrochloric Acid SCHEMBL947143 | 0.80 | S1PR1 (0.98) | S1PR1KDM4ESMN1; SMN2MEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1483031-A | Heterocyclylalkylpiperidine derivatives, their preparation and compositions containing them | ���ĵ�˹ҩ��ɷ�����˾ | 2004-03-17 | — | — | CN | disclosed |
| EP-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |