Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL27970551 | 0.98 | ALDH1A1 (0.60) | ALDH1A1TSHRLMNATDP1TRPA1 | |
| SCHEMBL17708234 | 0.93 | TSHR (0.52) | ALDH1A1TSHRLMNATDP1TRPA1 | |
| SCHEMBL11132736 | 0.91 | ALDH1A1 (0.62) | ALDH1A1TSHRLMNATDP1TRPA1 | |
| SCHEMBL9346374 | 0.87 | LMNA (0.50) | ALDH1A1TSHRLMNATDP1ACE2 | |
| SCHEMBL4892117 | 0.87 | ALDH1A1 (0.79) | ALDH1A1TSHRLMNATDP1TRPA1 | |
| SCHEMBL28097782 | 0.86 | ALDH1A1 (0.64) | ALDH1A1TSHRLMNATDP1CYP3A4 | |
| SCHEMBL13677489 | 0.85 | TSHR (0.55) | ALDH1A1TSHRLMNATDP1TRPA1 | |
| SCHEMBL8996356 | 0.85 | ALDH1A1 (0.75) | ALDH1A1TSHRLMNATDP1TRPA1 | |
| SCHEMBL29077100 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TSHRLMNATRPA1 | |
| SCHEMBL29592487 | 0.85 | ALDH1A1 (0.61) | ALDH1A1TSHRLMNATDP1CYP3A4 |
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-1105362-A1 | METHOD FOR PRODUCING ALKYNE DIOLS | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-13 | — | — | EP | disclosed |
| WO-2000009465-A1 | METHOD FOR PRODUCING ALKYNE DIOLS | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-24 | — | — | WO | disclosed |