Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29541546 | 1.00 | CYP1A2 (0.47) | CYP1A2CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL29541827 | 0.83 | BCAT1 (0.46) | CYP1A2CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL4053984 | 0.80 | EPHX2 (0.49) | CYP1A2CYP19A1CYP2C9CYP2C19RAB9A | |
| SCHEMBL3609355 | 0.80 | NPC1 (0.50) | NPC1RAB9AKMT2APKMSMN1; SMN2 | |
| SCHEMBL2415309 | 0.77 | EPHX2 (0.58) | CYP1A2CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL6368033 | 0.77 | ALDH1A1 (0.48) | CYP1A2CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL12681544 | 0.77 | SMN1; SMN2 (0.51) | CYP1A2CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL7450169 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL29503805 | 0.77 | SMN1; SMN2 (0.51) | CYP1A2CYP19A1CYP2C9CYP2C19NPC1 | |
| SCHEMBL2310167 | 0.77 | CYP1A2 (0.46) | CYP1A2CYP19A1CYP2C9CYP2C19NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0486782-A1 | Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles | AMERICAN CYANAMID COMPANY (US) | 1992-05-27 | — | — | EP | claimed |
| US-5103015-A | 5-(substituted)isoxazole compounds | AMERICAN CYANAMID COMPANY (US) | 1992-04-07 | — | — | US | claimed |
| US-20230024012-A1 | Protease Inhibitors for Treatment of Coronavirus Infections | THE SCRIPPS RESEARCH INSTITUTE | 2023-01-26 | — | — | US | disclosed |
| US-20040110802-A1 | Antibacterial benzoic acid derivatives | PHARMACIA & UPJOHN COMPANY | 2004-06-10 | — | — | US | disclosed |
| WO-2004018428-A1 | ANTIBACTERIAL BENZOIC ACID DERIVATIVES | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | 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 (2 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-20230024012-A1 | Protease Inhibitors for Treatment of Coronavirus Infections | ACE, ACE2, TMPRSS2 | CYP1A2 318/4885CYP19A1 1015/4885CYP2C9 277/4885 |
| US-20040110802-A1 | Antibacterial benzoic acid derivatives | GABRD, GABBR1, GABRA1 | CYP1A2 710/4885CYP19A1 869/4885CYP2C9 903/4885 |
“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.