Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Pyrophosphoric Acid SCHEMBL3823003 | 0.78 | TSHR (0.41) | TSHRPLA2G2CALDH1A1TDP1 | |
| SCHEMBL72618 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL3124712 | 0.75 | — | — | |
| Butadiene SCHEMBL27967620 | 0.73 | TSHR (0.38) | TSHRALDH1A1TDP1 | |
| SCHEMBL28982149 | 0.70 | TSHR (0.32) | TSHRTDP1 | |
| 2-Pentanol SCHEMBL2029217 | 0.70 | TSHR (0.57) | TSHRALDH1A1 | |
| Methyl Alcohol SCHEMBL8944947 | 0.69 | — | — | |
| SCHEMBL7040 | 0.69 | — | — | |
| SCHEMBL1871536 | 0.69 | TSHR (1.00) | TSHRALDH1A1 | |
| SCHEMBL8468547 | 0.69 | TSHR (1.00) | TSHRALDH1A1 |
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-1601674-A2 | HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-12-07 | — | — | EP | disclosed |
| WO-2004022558-A2 | HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2004-03-18 | — | — | WO | disclosed |