Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 7/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7962463 | 0.81 | ECE1 (0.53) | TACR1KDM4ELMNAHPGDHSD17B10 | |
| SCHEMBL27574624 | 0.76 | TACR1 (0.50) | TACR1KDM4EMAPTLMNAALDH1A1 | |
| SCHEMBL27461720 | 0.76 | TACR1 (0.50) | TACR1KDM4EMAPTLMNAALDH1A1 | |
| SCHEMBL6379502 | 0.76 | TACR1 (0.50) | TACR1KDM4EMAPTLMNAALDH1A1 | |
| SCHEMBL16001091 | 0.76 | TACR1 (0.50) | TACR1KDM4EMAPTLMNAALDH1A1 | |
| SCHEMBL27552215 | 0.76 | TACR1 (0.50) | TACR1MAPTLMNAHPGDALDH1A1 | |
| SCHEMBL27553428 | 0.76 | TACR1 (0.50) | TACR1MAPTLMNAHPGDALDH1A1 | |
| SCHEMBL6376795 | 0.76 | TACR1 (0.50) | TACR1MAPTLMNAHPGDALDH1A1 | |
| SCHEMBL850315 | 0.74 | TACR1 (0.74) | TACR1KDM4EMAPTLMNAALDH1A1 | |
| SCHEMBL3185689 | 0.74 | TACR1 (0.74) | TACR1KDM4EMAPTLMNAALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001077095-A2 | DERIVATIVES OF ALPHA-MERCAPTOACETAMIDE | NOVARTIS AG (CH) | 2001-10-18 | — | — | WO | disclosed |