Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| 1,3,5-Trimethoxybenzene SCHEMBL2496933 | 0.85 | ALDH1A1 (0.65) | ALDH1A1CYP3A4CYP1A1CYP1B1PKM | |
| SCHEMBL145855 | 0.84 | ALDH1A1 (0.62) | ALDH1A1CYP3A4ACHETSHRMAPK1 | |
| SCHEMBL28188557 | 0.83 | RAPGEF4 (0.43) | ALDH1A1RAPGEF4CYP3A4ACHETSHR | |
| SCHEMBL2862153 | 0.83 | ALDH1A1 (0.41) | ALDH1A1RAPGEF4CYP3A4ACHETSHR | |
| SCHEMBL29587173 | 0.82 | ALDH1A1 (0.59) | ALDH1A1CYP3A4ACHETSHRMAPK1 | |
| SCHEMBL27310696 | 0.82 | ALDH1A1 (0.44) | ALDH1A1RAPGEF4CYP3A4ACHETSHR | |
| SCHEMBL841739 | 0.82 | ALDH1A1 (0.44) | ALDH1A1RAPGEF4CYP3A4ACHETSHR | |
| SCHEMBL12501 | 0.79 | ALDH1A1 (0.73) | ALDH1A1CYP3A4ACHETSHRMAPK1 | |
| SCHEMBL2498583 | 0.79 | ACHE (0.76) | ALDH1A1CYP3A4ACHETSHRTDP1 | |
| SCHEMBL5727965 | 0.76 | ACHE (0.71) | ALDH1A1RAPGEF4ACHEPKMMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440542-B1 | Substituted benzimidazoles, benzonthiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2013-12-18 | — | — | EP | disclosed |
| EP-2611810-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| US-8232288-B2 | Substituted benzimidazoles, benzothiazoles and benzoxazoles | GRUENENTHAL GMBH (DE) | 2012-07-31 | — | — | US | disclosed |
| EP-2440542-A1 | SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES | Grünenthal GmbH (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-20120058999-A1 | Substituted Tetrahydropyrrolopyrazine Compounds | GRUENENTHAL GMBH (DE) | 2012-03-08 | — | — | US | disclosed |
| WO-2012028331-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2012-03-08 | — | — | WO | disclosed |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | GRUENENTHAL GMBH (DE) | 2011-01-13 | — | — | US | disclosed |
| WO-2010142402-A1 | SUBSTITUTED BENZIMIDAZOLES, BENZOTHIAZOLES AND BENZOXAZOLES | Grünenthal GmbH (DE) | 2010-12-16 | — | — | WO | disclosed |
| EP-0204264-B1 | CONVERSION OF URACIL DERIVATIVES TO CYTOSINE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 1990-08-16 | — | — | EP | disclosed |
| US-4754026-A | Conversion of uracil derivatives to cytosine derivatives | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-06-28 | — | — | US | disclosed |
| EP-0204264-A2 | Conversion of uracil derivatives to cytosine derivatives | Takeda Chemical Industries, Ltd. (JP) | 1986-12-10 | — | — | EP | 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-20120058999-A1 | Substituted Tetrahydropyrrolopyrazine Compounds | BDKRB1, BDKRB2, LTB4R | ALDH1A1 2754/4885RAPGEF4 1637/4885CYP3A4 741/4885 |
| US-20110009382-A1 | Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles | BDKRB1, BDKRB2, BRD1 | ALDH1A1 1533/4885RAPGEF4 3768/4885CYP3A4 253/4885 |
“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.