Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.35 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL129977 | 0.80 | — | — | |
| Pyrimidine SCHEMBL7658961 | 0.79 | KCNH2 (0.53) | KDM1ACYP1A2USP2ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL6627700 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL29030880 | 0.78 | EPHX1 (0.44) | KDM1AEPHX1MAOACISD1SLC6A2 | |
| Hydrochloric Acid SCHEMBL5161351 | 0.78 | EPHX1 (0.44) | KDM1AEPHX1MAOACISD1SLC6A2 | |
| Pyrimidine SCHEMBL8031985 | 0.77 | GNAI3 (0.51) | KDM1ACYP1A2USP2ALDH1A1ALOX15 | |
| Piperazine SCHEMBL192250 | 0.72 | HIF1A (0.40) | ALDH1A1HIF1A | |
| Piperazine SCHEMBL28605103 | 0.72 | HIF1A (0.40) | ALDH1A1HIF1A | |
| SCHEMBL17125417 | 0.72 | — | — | |
| SCHEMBL10278230 | 0.72 | — | — |
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-2000059498-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |