Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5009519 | 0.83 | KDM1A (0.42) | KDM1ASLC6A2GAAMAPT | |
| SCHEMBL11019711 | 0.82 | HTR7 (0.40) | KDM1ASLC6A2RORC | |
| SCHEMBL4667005 | 0.80 | ALDH1A1 (0.41) | GAAMAPTP2RY14ALDH1A1 | |
| SCHEMBL4904346 | 0.76 | CYP11B2 (0.39) | KDM1ACA1CA2CYP11B2GAA | |
| SCHEMBL4542861 | 0.70 | MGLL (0.38) | — | |
| SCHEMBL8954374 | 0.68 | CTSC (0.38) | KDM1AGAAMAPTALDH1A1EPHX2 | |
| Hydrochloric Acid SCHEMBL25353864 | 0.67 | — | — | |
| SCHEMBL15157625 | 0.67 | SLC6A2 (0.40) | SLC6A2SLC6A4ALDH1A1 | |
| SCHEMBL10594225 | 0.66 | MAPK1 (0.33) | NPC1RAB9A | |
| Bicarbonate SCHEMBL7275641 | 0.65 | FASN (0.48) | P2RY14NPC1RAB9AUSP30 |
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-1999028297-A1 | SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-10 | — | — | WO | disclosed |