Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24001256 | 0.98 | ALDH1A1 (0.50) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7418518 | 0.98 | ALDH1A1 (0.50) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL24001095 | 0.98 | ALDH1A1 (0.50) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL24757426 | 0.98 | CYP1A2 (0.48) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL27065452 | 0.97 | ALDH1A1 (0.48) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL24757440 | 0.95 | CYP1A2 (0.48) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL856060 | 0.95 | CYP1A2 (0.56) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL1863035 | 0.95 | CYP1A2 (0.56) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| Bromide SCHEMBL741360 | 0.93 | CYP1A2 (0.55) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL1855324 | 0.93 | CYP1A2 (0.53) | CYP1A2MAPK1SMN1; SMN2ALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |