Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 1/20 | 0.37 |
| ▸ | RXRG | P48443 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 4/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.37 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MLYCD | O95822 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17993999 | 0.86 | IDO1 (0.41) | IDO1CES2DAOTAAR1RXRA | |
| SCHEMBL17994043 | 0.86 | IDO1 (0.41) | IDO1DAOTAAR1RXRARXRB | |
| SCHEMBL17994035 | 0.84 | NOTUM (0.40) | IDO1DAOTAAR1MTOR | |
| SCHEMBL17922773 | 0.84 | IDO1 (0.39) | IDO1DAOTAAR1TACR1 | |
| SCHEMBL6492763 | 0.80 | IDO1 (0.48) | IDO1CES2DAOTAAR1RXRA | |
| SCHEMBL17994027 | 0.80 | RXRA (0.46) | IDO1RXRARXRBRXRGTACR1 | |
| SCHEMBL1776129 | 0.79 | IDO1 (0.52) | IDO1CES2DAOTAAR1RXRA | |
| SCHEMBL5249761 | 0.78 | IDO1 (0.56) | IDO1CES2DAOTAAR1RXRA | |
| SCHEMBL7847044 | 0.77 | CYP3A4 (0.43) | IDO1TSHR | |
| SCHEMBL8069977 | 0.77 | TAAR1 (0.60) | IDO1TAAR1TSHR |
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-3332645-A1 | USE OF SUBSTITUTED PYRIMIDINE DIONES OR THEIR SALTS AS AGENTS TO COMBAT ABIOTIC PLANT STRESS | Bayer Cropscience AG (DE) | 2018-06-13 | — | — | EP | disclosed |
| US-7241798-B2 | NK1 antagonists | PFIZER INC. (US) | 2007-07-10 | — | — | US | disclosed |
| EP-1756056-A1 | AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS | Pfizer Products Inc. (US) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005121085-A1 | AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| US-20050272800-A1 | NK1 antagonists | PFIZER INC | 2005-12-08 | — | — | 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 (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-20050272800-A1 | NK1 antagonists | TACR1, TACR2, TAC3 | IDO1 725/4885CES2 3097/4885DAO 3263/4885 |
“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.