Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132337 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL31150950 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL31151007 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL1454663 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL28934782 | 0.98 | IDO1 (0.47) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL30268799 | 0.98 | IDO1 (0.47) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| Hydrochloric Acid SCHEMBL14120766 | 0.98 | IDO1 (0.47) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| Iodide SCHEMBL28685281 | 0.98 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL5846481 | 0.86 | MAOA (0.46) | CYP3A4CYP2D6CYP1A2NFKB1PNMT | |
| SCHEMBL14395925 | 0.81 | CYP2D6 (0.54) | CYP3A4CYP2D6CYP1A2NFKB1PNMT |
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-2012084971-A1 | INDOLE DERIVATIVES AS AGENTS AGAINST GRAM-NEGATIVE AND GRAM-POSITIVE BACTERIA | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2012-06-28 | — | — | WO | disclosed |
| US-8063035-B2 | Triazolyl aminopyrimidine compounds | ELI LILLY AND COMPANY (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2295414-A1 | NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF | Taiho Pharmaceutical Co., Ltd. (JP) | 2011-03-16 | — | — | EP | disclosed |
| US-20100087431-A1 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY | 2010-04-08 | — | — | US | disclosed |
| WO-2009147843-A1 | NOVEL URACIL COMPOUND HAVING INHIBITORY ACTIVITY ON HUMAN DEOXYURIDINE TRIPHOSPHATASE OR SALT THEREOF | 大鵬薬品工業株式会社 (JP) | 2009-12-10 | — | — | 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-20100087431-A1 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | DPYD, TP53, TYMP | CYP3A4 586/4885CYP2D6 663/4885CYP1A2 1535/4885 |
“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.