Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL9724148 | 0.85 | LMNA (0.55) | KMT2AMEN1ADORA3DYRK1AHTT | |
| SCHEMBL16984472 | 0.83 | KDM4E (0.55) | KMT2AMEN1ADORA3GAAALDH1A1 | |
| SCHEMBL9724344 | 0.81 | MAPT (0.45) | KMT2AMEN1ADORA3GAAALDH1A1 | |
| Acetic Acid SCHEMBL9849558 | 0.81 | KDM4E (0.54) | KMT2AMEN1ADORA3GAAALDH1A1 | |
| Potassium SCHEMBL30101822 | 0.81 | KDM4E (0.54) | KMT2AMEN1ADORA3GAAALDH1A1 | |
| SCHEMBL7056158 | 0.80 | KMT2A (0.56) | KMT2AMEN1GAAHTTALDH1A1 | |
| SCHEMBL15450991 | 0.78 | DYRK1A (0.51) | KMT2AMEN1ADORA3DYRK1AALDH1A1 | |
| SCHEMBL17646472 | 0.76 | F2 (0.53) | ADORA3DYRK1AHTTALDH1A1CYP1A2 | |
| SCHEMBL16930396 | 0.76 | DYRK1A (0.53) | KMT2AMEN1ADORA3DYRK1AALDH1A1 | |
| SCHEMBL7820537 | 0.75 | ALDH1A1 (0.48) | KMT2AMEN1ALDH1A1CYP1A2ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |
| EP-0318225-A2 | 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |