Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PLG | P00747 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | KLK1 | P06870 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
| ▸ | LDHB | P07195 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
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 SCHEMBL7445767 | 0.99 | ABCB1 (0.38) | ABCB1HRH1F2PLGPLAU | |
| SCHEMBL7440332 | 0.78 | HTR6 (0.51) | CYP1A2SMN1; SMN2MAPTNPC1TP53 | |
| SCHEMBL7447291 | 0.77 | SMN1; SMN2 (0.45) | CYP1A2SMN1; SMN2CYP3A4CYP2C9MAPT | |
| Hydrochloric Acid SCHEMBL7445772 | 0.77 | HTR6 (0.50) | CYP1A2SMN1; SMN2MAPTNPC1TP53 | |
| SCHEMBL7431806 | 0.76 | CYP3A4 (0.65) | ABCB1CYP1A1CYP1B1CYP1A2SMN1; SMN2 | |
| SCHEMBL7431655 | 0.74 | S1PR4 (0.38) | F2PLGPLAUKLKB1KLK1 | |
| SCHEMBL30496740 | 0.72 | IDO1 (0.55) | F2PLGPLAUKLKB1KLK1 | |
| SCHEMBL4019637 | 0.72 | IDO1 (0.55) | F2PLGPLAUKLKB1KLK1 | |
| SCHEMBL17214863 | 0.72 | ALOX5 (0.50) | ABCB1HRH1CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL9025706 | 0.72 | LOXL2 (0.54) | F2SMN1; SMN2TP53HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-0397364-B1 | HETEROCYCLIC GUANIDINES AS 5HT 3 ANTAGONISTS | PFIZER INC. (US) | 1993-07-28 | — | — | EP | disclosed |
| EP-0397364-A1 | Heterocyclic guanidines AS 5HT 3 Antagonists | PFIZER INC. (US) | 1990-11-14 | — | — | EP | disclosed |
| US-4963689-A | ANTIEMETICS, ANALGESICS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA | PFIZER INC. (US) | 1990-10-16 | — | — | US | disclosed |