Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 7/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL457836 | 0.80 | TSHR (0.44) | CYP1A2ALDH1A1TDP1CYP3A4HSD17B10 | |
| SCHEMBL9789544 | 0.78 | CYP1A2 (0.36) | CYP1A2ALDH1A1TDP1CYP3A4HSD17B10 | |
| SCHEMBL27782172 | 0.77 | HSD17B10 (0.38) | CYP1A2ALDH1A1TDP1CYP3A4HSD17B10 | |
| SCHEMBL7709814 | 0.77 | GPR35 (0.38) | ALDH1A1TDP1CYP3A4HSD17B10TSHR | |
| SCHEMBL28450045 | 0.73 | ALDH1A1 (0.50) | CYP1A2ALDH1A1TDP1CYP3A4HSD17B10 | |
| SCHEMBL455622 | 0.72 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4HSD17B10TSHR | |
| SCHEMBL5631987 | 0.72 | HSD17B10 (0.39) | ALDH1A1TDP1CYP3A4HSD17B10TSHR | |
| SCHEMBL8922502 | 0.69 | CYP1A2 (0.43) | CYP1A2ALDH1A1TDP1CYP3A4HSD17B10 | |
| SCHEMBL29148497 | 0.69 | ALDH1A1 (0.32) | ALDH1A1MAPT | |
| SCHEMBL9651909 | 0.69 | TDP1 (0.36) | ALDH1A1TDP1CYP3A4HSD17B10TSHR |
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-5594152-A | Process for the preparation of tricyclic-heterocycles | AMERICAN CYANAMID COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| US-5436333-A | Process for the preparation of tricyclic-heterocycles | AMERICAN CYANAMID COMPANY (US) | 1995-07-25 | — | — | US | disclosed |