Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 8/20 | 0.38 |
| ▸ | CTSS | P25774 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18762621 | 0.92 | CYP2C9 (0.42) | CYP2C9CYP2C19CYP1A2HTTCYP3A4 | |
| SCHEMBL8303184 | 0.91 | CYP2C9 (0.50) | CYP2C9CYP2C19CYP1A2HTTCYP3A4 | |
| SCHEMBL7263399 | 0.86 | CTSK (0.41) | CYP2C9CYP2C19CYP1A2HTTCYP3A4 | |
| SCHEMBL16760 | 0.84 | CA12 (0.41) | CYP2C9CYP2C19CYP1A2HTTCA1 | |
| SCHEMBL5877427 | 0.82 | CYP1A2 (0.50) | CYP2C9CYP2C19CYP1A2HTTCA1 | |
| SCHEMBL11800188 | 0.79 | CYP3A4 (0.41) | CYP2C9CYP2C19HTTCYP3A4CA1 | |
| SCHEMBL762738 | 0.79 | CA12 (0.41) | CYP2C9CYP2C19CYP1A2HTTCA1 | |
| SCHEMBL9304618 | 0.79 | CYP3A4 (0.41) | CYP2C9CYP2C19HTTCYP3A4CA1 | |
| SCHEMBL17772585 | 0.78 | CA1 (0.41) | CYP2C9CYP2C19CYP1A2HTTCA1 | |
| SCHEMBL12658530 | 0.78 | CYP2C9 (0.41) | CYP2C9CYP2C19CYP1A2HTTCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |
| US-9809534-B1 | Difluoroalkylcyclopropyl amino acids and esters, and syntheses thereof | ABBVIE INC. (US) | 2017-11-07 | — | — | US | disclosed |
| US-9714224-B2 | Heterocyclic compounds and methods of their use | NOVARTIS AG (CH) | 2017-07-25 | — | — | US | disclosed |
| US-20160145213-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE | SPINIFEX PHARMACEUTICALS PTY LTD (AU) | 2016-05-26 | — | — | US | disclosed |
| US-20020115692-A1 | Tryptophan derivatives | CELLTECH R&D, LTD. (GB) | 2002-08-22 | — | — | US | 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-20160145213-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE | AGTR2, AGTR1, AGT | CYP2C9 1647/4885CYP2C19 1427/4885CYP1A2 498/4885 |
| US-20020115692-A1 | Tryptophan derivatives | IDO1, TPH1, IDO2 | CYP2C9 747/4885CYP2C19 1310/4885CYP1A2 250/4885 |
“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.