Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPD | P32754 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8945995 | 0.99 | MAPK1 (0.40) | MAPK1GAAHPDMEN1PKM | |
| SCHEMBL9425330 | 0.84 | L3MBTL1 (0.38) | MAPK1KMT2AMAPTALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL8945759 | 0.83 | L3MBTL1 (0.37) | KMT2AMAPTALDH1A1LMNAPOLB | |
| SCHEMBL8946001 | 0.81 | ALDH1A1 (0.34) | GAAMEN1PKMKMT2AMAPT | |
| SCHEMBL8761001 | 0.81 | MEN1 (0.41) | MAPK1MEN1KMT2AMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL8946060 | 0.78 | HTR2A (0.32) | GAAMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9425059 | 0.74 | NPC1 (0.35) | MAPTALDH1A1LMNA | |
| SCHEMBL10019202 | 0.74 | MAPK1 (0.52) | MAPK1GAAHPDMEN1PKM | |
| SCHEMBL8946180 | 0.73 | PARP14 (0.47) | MAPK1HPDMEN1PKMKMT2A | |
| SCHEMBL9185552 | 0.70 | HPD (0.47) | MAPK1GAAHPDMEN1PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | claimed |