Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.59 |
| ▸ | EGFR | P00533 | 2/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.59 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.58 |
| ▸ | GFER | P55789 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.55 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
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 SCHEMBL7372372 | 0.99 | ALDH1A1 (0.60) | ALDH1A1KMT2AEGFRHRH3HRH4 | |
| SCHEMBL10868930 | 0.89 | ALDH1A1 (0.75) | ALDH1A1KMT2AEGFRHRH3GFER | |
| SCHEMBL7375822 | 0.89 | HRH3 (0.58) | ALDH1A1KMT2AHRH3L3MBTL1LMNA | |
| SCHEMBL7378554 | 0.89 | HRH3 (0.58) | ALDH1A1KMT2AHRH3L3MBTL1LMNA | |
| Hydrochloric Acid SCHEMBL10870061 | 0.88 | ALDH1A1 (0.76) | ALDH1A1KMT2AEGFRHRH3GFER | |
| Hydrochloric Acid SCHEMBL7376357 | 0.88 | TSHR (0.60) | ALDH1A1KMT2AHRH3KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL7375876 | 0.88 | TSHR (0.60) | ALDH1A1KMT2AHRH3KDM4ELMNA | |
| SCHEMBL2834503 | 0.86 | ALDH1A1 (0.79) | ALDH1A1KMT2AGFERKDM4EL3MBTL1 | |
| SCHEMBL7397232 | 0.85 | HRH3 (0.64) | ALDH1A1EGFRHRH3HRH4KDM4E | |
| SCHEMBL5182996 | 0.85 | ALDH1A1 (0.76) | ALDH1A1KMT2AGFERKDM4EL3MBTL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724577-A1 | HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES | SMITHKLINE BEECHAM PLC (GB) | 1996-08-07 | — | — | EP | claimed |
| WO-1995011238-A1 | HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES | SMITHKLINE BEECHAM PLC (GB) | 1995-04-27 | — | — | WO | claimed |
| EP-0724577-A1 | HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES | SMITHKLINE BEECHAM PLC (GB) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011238-A1 | HETEROCYCLIC AMINES FOR TREATING ISCHAEMIC STROKES | SMITHKLINE BEECHAM PLC (GB) | 1995-04-27 | — | — | WO | disclosed |