Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.42 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.42 |
| ▸ | TPMT | P51580 | 5/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | BRD2 | P25440 | 1/20 | 0.41 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL312132 | 0.83 | TPMT (0.55) | ALDH1A1TAS1R3TAS1R1TPMTCA12 | |
| Hydrochloric Acid SCHEMBL11851061 | 0.81 | TPMT (0.53) | ALDH1A1TAS1R3TAS1R1TPMTCA12 | |
| SCHEMBL9861846 | 0.78 | ALDH1A1 (0.53) | ALDH1A1TAS1R3TAS1R1MEN1KMT2A | |
| SCHEMBL7824257 | 0.77 | TPMT (0.41) | ALDH1A1TAS1R3TAS1R1TPMTCA12 | |
| SCHEMBL5080187 | 0.76 | PDE4B (0.54) | ALDH1A1TAS1R3TAS1R1POLBMAPK1 | |
| SCHEMBL3355977 | 0.73 | TPMT (0.68) | ALDH1A1TPMTPOLBSMN1; SMN2CA12 | |
| SCHEMBL21711825 | 0.73 | TPMT (0.68) | ALDH1A1TPMTPOLBMAPK1SMN1; SMN2 | |
| SCHEMBL27801015 | 0.73 | TPMT (0.49) | ALDH1A1TPMTCA12CA1CA2 | |
| SCHEMBL21880315 | 0.71 | TPMT (0.69) | ALDH1A1TAS1R3TAS1R1TPMTPOLB | |
| SCHEMBL4730730 | 0.71 | ALDH1A1 (0.57) | ALDH1A1TAS1R3TAS1R1BRD4BRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |