Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18327484 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4ECYP2D6ADH1BADH1C | |
| SCHEMBL24819144 | 1.00 | ALDH1A1 (0.39) | ALDH1A1KDM4ECYP2D6ADH1BADH1C | |
| SCHEMBL16415641 | 0.80 | ADRB2 (0.34) | ADH1BADH1CADH1A | |
| SCHEMBL24819145 | 0.79 | ADH1B (0.35) | ADH1BADH1CADH1APIK3CD | |
| SCHEMBL18331589 | 0.76 | — | — | |
| SCHEMBL13798596 | 0.76 | — | — | |
| SCHEMBL12072033 | 0.76 | — | — | |
| SCHEMBL13519640 | 0.75 | ALDH1A1 (0.37) | ALDH1A1KDM4ECYP2D6TDP1SLC6A4 | |
| SCHEMBL6957082 | 0.75 | ALDH1A1 (0.37) | ALDH1A1KDM4ECYP2D6TDP1SLC6A4 | |
| SCHEMBL9559462 | 0.75 | TSHR (0.36) | ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9932329-B2 | Benzimidazole derivatives as RLK and ITK inhibitors | PRINCIPIA BIOPHARMA, INC. (US) | 2018-04-03 | — | — | US | disclosed |
| US-9932329-B2 | Benzimidazole derivatives as RLK and ITK inhibitors | PRINCIPIA BIOPHARMA, INC. (US) | 2018-04-03 | — | — | US | disclosed |
| US-20160368908-A1 | BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS | PRINCIPIA BIOPHARMA, INC. | 2016-12-22 | — | — | 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 (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-20160368908-A1 | BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS | ITK, BLK, LMTK2 | ALDH1A1 1664/4885KDM4E 2697/4885CYP2D6 1763/4885 |
“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.