Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6765311 | 1.00 | ALDH1A1 (0.64) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| SCHEMBL7030042 | 0.98 | ALDH1A1 (0.67) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| SCHEMBL16585286 | 0.98 | ALDH1A1 (0.67) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| SCHEMBL29393238 | 0.95 | ALDH1A1 (0.70) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| SCHEMBL248317 | 0.95 | ALDH1A1 (0.70) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| SCHEMBL713624 | 0.95 | ALDH1A1 (0.70) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| SCHEMBL28132113 | 0.90 | ALDH1A1 (0.56) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| Biphenyl SCHEMBL8035806 | 0.89 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| SCHEMBL6066794 | 0.89 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD | |
| SCHEMBL2834372 | 0.89 | ALDH1A1 (0.61) | ALDH1A1ALOX15AKR1C3KDM4EHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8217172-B2 | Solid forms of 1-ethyl-3-(5-(5-fluoropyridin-3-yl)-7-(pyrimidin-2-yl)-1H-benzo[d]imidazol-2-yl)urea | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-10 | — | — | US | disclosed |
| US-20100063284-A1 | SOLID FORMS OF 1-ethyl-3-(5-(5-FLUOROPYRIDIN-3-YL)-7-(PYRIMIDIN-2-YL)-1H-BENZO[D]IMIDAZOL-2-YL)UREA | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-03-11 | — | — | 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-20100063284-A1 | SOLID FORMS OF 1-ethyl-3-(5-(5-FLUOROPYRIDIN-3-YL)-7-(PYRIMIDIN-2-YL)-1H-BENZO[D]IMIDAZOL-2-YL)UREA | RCC1, UPP1, UACA | ALDH1A1 2629/4885ALOX15 4743/4885AKR1C3 4180/4885 |
“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.