Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21335645 | 0.89 | KDM4E (0.41) | ALDH1A1KDM4EHPGDHTR2AHTR2C | |
| SCHEMBL7903003 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDHTR2AHTR2C | |
| SCHEMBL20672033 | 0.85 | KDM4E (0.43) | ALDH1A1KDM4EHPGDALOX15TSHR | |
| SCHEMBL7904241 | 0.80 | HTR2A (0.47) | ALDH1A1KDM4EHPGDHTR2AHTR2C | |
| SCHEMBL27103183 | 0.79 | KDM4E (0.45) | ALDH1A1KDM4EHPGDHTR2AHTR2C | |
| SCHEMBL7903315 | 0.78 | HTR2A (0.41) | ALDH1A1KDM4EHPGDHTR2AHTR2C | |
| SCHEMBL27103173 | 0.78 | MEN1 (0.55) | ALDH1A1KDM4EHPGDKMT2AMEN1 | |
| SCHEMBL27136850 | 0.77 | ADAM17 (0.42) | ADAM17 | |
| SCHEMBL30782323 | 0.77 | ADAM17 (0.42) | ADAM17 | |
| Hydrochloric Acid SCHEMBL27137415 | 0.77 | MEN1 (0.54) | ALDH1A1KDM4EHPGDKMT2AMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017040449-A1 | TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-03-09 | — | — | WO | disclosed |