Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 9/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7324373 | 0.99 | HTR1A (0.36) | HTR1AKDM1ADPP4SMYD3ALDH1A1 | |
| SCHEMBL27421465 | 0.76 | ALDH1A1 (0.38) | HTR1AALDH1A1GAAMAPTALOX15 | |
| SCHEMBL6645348 | 0.67 | HRH3 (0.47) | HTR1AALDH1A1GAAMAPTALOX15 | |
| SCHEMBL7326479 | 0.67 | HRH3 (0.43) | HTR1ASIGMAR1 | |
| Hydrochloric Acid SCHEMBL8575078 | 0.66 | CHRM1 (0.44) | HTR1ASIGMAR1 | |
| SCHEMBL6643060 | 0.65 | NOTUM (0.44) | ALDH1A1GAAMAPTALOX15TSHR | |
| Hydrochloric Acid SCHEMBL9198794 | 0.64 | SLC6A4 (0.36) | SMYD3ALDH1A1HTT | |
| SCHEMBL7333320 | 0.64 | SLC6A4 (0.34) | SMYD3ALDH1A1 | |
| SCHEMBL10585349 | 0.63 | MCL1 (0.42) | ALDH1A1GAAMAPTALOX15TSHR | |
| SCHEMBL7325733 | 0.63 | OPRD1 (0.32) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5708174-A | Heterocyclic-esters or -amides used as 5-HT4 receptor antagonists | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-01-13 | — | — | US | claimed |
| EP-0664805-A1 | HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT 4? RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-08-02 | — | — | EP | claimed |
| WO-1994008994-A1 | HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-04-28 | — | — | WO | claimed |