Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | IDO1 | P14902 | 4/20 | 0.37 |
| ▸ | AGXT | P21549 | 2/20 | 0.37 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17552743 | 0.82 | RIPK1 (0.41) | KCNN4ALDH1A1IDO1AGXTLMNA | |
| SCHEMBL1345446 | 0.81 | TAAR1 (0.35) | HTR2AHTR2CHTR2BTAAR1IDO1 | |
| SCHEMBL24756685 | 0.80 | KCNN4 (0.37) | KCNN4ALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL28746008 | 0.80 | PRKAB2 (0.40) | KCNN4ALDH1A1LMNAHSP90AA1CYP3A4 | |
| SCHEMBL18649480 | 0.78 | RIPK1 (0.39) | KCNN4ALDH1A1IDO1AGXTLMNA | |
| SCHEMBL2793444 | 0.77 | ALDH1A1 (0.44) | KCNN4ALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL30069199 | 0.77 | ALDH1A1 (0.44) | KCNN4ALDH1A1HTR2AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL8507684 | 0.77 | KIF11 (0.52) | ALDH1A1TAAR1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL441530 | 0.76 | ALDH1A1 (0.42) | KCNN4ALDH1A1IDO1AGXTLMNA | |
| SCHEMBL25458297 | 0.76 | KCNN4 (0.37) | KCNN4ALDH1A1LMNAHSP90AA1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018042342-A1 | 1,2,3-BENZOTRIAZOLE DERIVATIVES AS ROR GAMMA T MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-03-08 | — | — | WO | disclosed |
| WO-2018042342-A1 | 1,2,3-BENZOTRIAZOLE DERIVATIVES AS ROR GAMMA T MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-03-08 | — | — | WO | disclosed |