Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | SCN1A | P35498 | 2/20 | 0.51 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.51 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.48 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29960002 | 0.85 | GAA (0.58) | TSHRTDP1L3MBTL1ALDH1A1CYP3A4 | |
| SCHEMBL8873461 | 0.84 | TSHR (0.65) | TSHRTDP1L3MBTL1SCN1ASCN2A | |
| SCHEMBL9030804 | 0.83 | SLC6A3 (0.61) | ACHEAGTR1AGTR2 | |
| SCHEMBL3633116 | 0.82 | TSHR (0.67) | TSHRTDP1L3MBTL1SCN1ASCN2A | |
| SCHEMBL29500191 | 0.82 | TSHR (0.67) | TSHRTDP1L3MBTL1SCN1ASCN2A | |
| SCHEMBL29500168 | 0.82 | TSHR (0.61) | TSHRTDP1L3MBTL1SCN1ASCN2A | |
| SCHEMBL3631447 | 0.82 | TSHR (0.61) | TSHRTDP1L3MBTL1SCN1ASCN2A | |
| SCHEMBL3628418 | 0.82 | TSHR (0.61) | TSHRTDP1L3MBTL1SCN1ASCN2A | |
| SCHEMBL2137523 | 0.81 | TSHR (0.73) | TSHRTDP1L3MBTL1SCN1ASCN2A | |
| SCHEMBL1257997 | 0.80 | ACHE (0.57) | ALDH1A1ACHELMNA |
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-2146963-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | Theravance, Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008133896-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2008-11-06 | — | — | WO | disclosed |