Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.30 |
| ▸ | UGT2B7 | P16662 | 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 | |
|---|---|---|---|---|
| SCHEMBL14412297 | 0.73 | IDO1 (0.42) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19214466 | 0.69 | — | — | |
| SCHEMBL14879929 | 0.69 | PLA2G2A (0.40) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16011055 | 0.69 | PLA2G2A (0.40) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL14879915 | 0.69 | PLA2G2A (0.40) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL4692464 | 0.66 | CYP3A4 (0.32) | CYP3A4 | |
| SCHEMBL29866479 | 0.63 | ALDH1A1 (0.57) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL29501291 | 0.62 | PTPN1 (0.68) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL14879667 | 0.62 | IDO1 (0.48) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL12793975 | 0.62 | IDO1 (0.48) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 |
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-2140864-A2 | Use of GAL3 receptor antagonists for the treatment of depression and / or anxiety and compounds useful in such methods | H.Lundbeck A/S (DK) | 2010-01-06 | — | — | EP | disclosed |
| WO-2004014376-A1 | GAL3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF AFFECTIVE DISORDERS | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 2004-02-19 | — | — | WO | disclosed |