Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | FLT1 | P17948 | 1/20 | 0.47 |
| ▸ | FLT4 | P35916 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CTSV | O60911 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Nornitrogen Mustard SCHEMBL8638765 | 0.85 | KDM4E (0.49) | KMT2ACES2MAPTALDH1A1TDP1 | |
| SCHEMBL503450 | 0.85 | CES2 (0.66) | KMT2ACES2MAPTALDH1A1CYP3A4 | |
| Benzene SCHEMBL10436420 | 0.83 | CES2 (0.69) | KMT2ACES2MAPTALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL3126469 | 0.83 | CES2 (0.64) | KMT2ACES2MAPTALDH1A1CYP3A4 | |
| Benzene SCHEMBL10436419 | 0.83 | CES2 (0.69) | KMT2ACES2MAPTALDH1A1CYP3A4 | |
| SCHEMBL23037543 | 0.82 | CES2 (0.62) | KMT2ACES2MAPTALDH1A1CYP3A4 | |
| Methylamine SCHEMBL9861803 | 0.81 | ALDH1A1 (0.65) | KMT2ACES2MAPTALDH1A1CYP3A4 | |
| Trimethylammonium SCHEMBL9860952 | 0.79 | ALDH1A1 (0.62) | KMT2ACES2MAPTALDH1A1CYP3A4 | |
| SCHEMBL8637553 | 0.78 | CES2 (0.46) | KMT2ACES2MAPTALDH1A1CYP3A4 | |
| SCHEMBL28011591 | 0.77 | TSHR (0.59) | KMT2ACES2MAPTALDH1A1CYP3A4 |
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-5750782-A | ANTICARCINOGENIC AGENTS, ANTIHYPOXIC AGENTS, PRODRUGS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |