Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.36 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 SCHEMBL7445772 | 0.99 | HTR6 (0.50) | HTR6CYP1A2PIN1HPGDSLC6A1 | |
| SCHEMBL7440328 | 0.78 | ABCB1 (0.38) | CYP1A2PIN1HPGDALDH1A1MAPT | |
| SCHEMBL7431814 | 0.77 | CYP2A6 (0.53) | HTR6CYP1A2PIN1 | |
| Hydrochloric Acid SCHEMBL7445767 | 0.77 | ABCB1 (0.38) | CYP1A2HPGDALDH1A1MAPTKDM4E | |
| SCHEMBL7447300 | 0.75 | CYP1A2 (0.41) | CYP1A2HPGDALDH1A1MAPTKDM4E | |
| SCHEMBL7431663 | 0.72 | HTR6 (0.50) | HTR6ALDH1A1MAPTMTNR1AKDM4E | |
| SCHEMBL30496750 | 0.71 | MTNR1A (0.58) | HPGDMAPTMTNR1AMAPK1MEN1 | |
| SCHEMBL4100261 | 0.71 | MTNR1A (0.58) | HPGDMAPTMTNR1AMAPK1MEN1 | |
| SCHEMBL12914335 | 0.69 | CYP1A2 (0.49) | HTR6CYP1A2HPGDALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL28128851 | 0.69 | MTNR1A (0.57) | HPGDMAPTMTNR1AMAPK1MEN1 |
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 |