Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3569707 | 0.86 | TSHR (0.59) | ALDH1A1TSHRTP53LCKPPARD | |
| SCHEMBL4078655 | 0.85 | — | — | |
| SCHEMBL4932785 | 0.81 | FFAR4 (0.52) | ALDH1A1TSHRPPARDTDP1FFAR4 | |
| SCHEMBL17866310 | 0.79 | FFAR4 (0.55) | ALDH1A1TSHRPPARDTDP1FFAR4 | |
| SCHEMBL28466096 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TSHRTP53LCKPPARD | |
| SCHEMBL11705517 | 0.79 | FFAR4 (0.55) | ALDH1A1TSHRPPARDTDP1FFAR4 | |
| SCHEMBL10355226 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TSHRTP53FFAR4FFAR1 | |
| SCHEMBL1409655 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TSHRTP53FFAR4FFAR1 | |
| SCHEMBL27781090 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TSHRTP53CYP3A4ATM | |
| SCHEMBL16285954 | 0.78 | MAPT (0.41) | ALDH1A1TSHRLCKPPARDZDHHC20 |
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-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 |