Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP4B1 | P13584 | 2/20 | 0.49 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.49 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.49 |
| ▸ | CYP2A7 | P20853 | 2/20 | 0.49 |
| ▸ | CYP3A7 | P24462 | 2/20 | 0.49 |
| ▸ | CYP2F1 | P24903 | 2/20 | 0.49 |
| ▸ | CYP2C18 | P33260 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.49 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27631023 | 0.89 | CASR (0.53) | CASRCYP2A6BRD4CYP1A1CYP1A2 | |
| SCHEMBL2020140 | 0.86 | ABL1 (0.59) | CYP2A6BRD4CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL28866454 | 0.85 | CYP1A1 (0.53) | CASRCYP2A6BRD4CYP1A1CYP1A2 | |
| SCHEMBL3345222 | 0.82 | CASR (0.44) | CASRDYRK1ACLK4BTKTDO2 | |
| SCHEMBL13211663 | 0.82 | ABL1 (0.60) | CYP2A6BRD4CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL3455245 | 0.82 | ABL1 (0.60) | CYP2A6BRD4CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL27995883 | 0.81 | RXRA (0.48) | CASRCYP2A6BRD4CYP3A4 | |
| SCHEMBL24767284 | 0.81 | ACHE (0.53) | CASRCYP2A6CYP1A1CYP1A2CYP2E1 | |
| SCHEMBL29628996 | 0.80 | CYP2A6 (0.71) | CYP2A6MAOBLMNA | |
| SCHEMBL9479255 | 0.80 | CYP2A6 (0.71) | CYP2A6MAOBLMNA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105102449-A | Antiviral compounds | HOFFMANN LA ROCHE | 2015-11-25 | — | — | CN | claimed |
| CN-110394190-A | Triazine radical cup [4] aromatic polymer loaded palladium catalyst and preparation method and application rich in nitrogen | SHANGHAI INST TECH | 2019-11-01 | — | — | CN | disclosed |
| US-20190016681-A1 | INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2019-01-17 | — | — | US | disclosed |
| US-20190016681-A1 | INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2019-01-17 | — | — | US | disclosed |
| WO-2017118762-A1 | INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | RIJKSUNIVERSITEIT GRONINGEN (NL) | 2017-07-13 | — | — | WO | disclosed |
| EP-3190103-A1 | INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | Rijksuniversiteit Groningen (NL) | 2017-07-12 | — | — | EP | disclosed |
| EP-3190103-A1 | INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | Rijksuniversiteit Groningen (NL) | 2017-07-12 | — | — | EP | disclosed |
| US-8372873-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-12 | — | — | US | disclosed |
| EP-0874629-A4 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | DU PONT MERCK PHARMA (US) | 1999-08-04 | — | — | EP | disclosed |
| EP-0874629-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997023212-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190016681-A1 | INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION | PDCD1, CD274, PDCD1LG2 | CASR 4795/4885CYP2A6 4394/4885BRD4 457/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.