Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GABRP | O00591 | 1/20 | 0.43 |
| ▸ | GABRD | O14764 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7962472 | 0.99 | ALOX5 (0.54) | ALOX5KDM4EAHRADORA3CYP1A2 | |
| SCHEMBL7978519 | 0.82 | ALOX5 (0.62) | ALOX5KDM4ECYP2C9ALDH1A1HPGD | |
| SCHEMBL7262986 | 0.80 | KMT2A (0.50) | KDM4EALDH1A1HPGDLMNASCN9A | |
| SCHEMBL8465002 | 0.80 | KMT2A (0.50) | KDM4EALDH1A1HPGDLMNASCN9A | |
| SCHEMBL3936305 | 0.80 | KMT2A (0.50) | KDM4EALDH1A1HPGDLMNASCN9A | |
| Hydrochloric Acid SCHEMBL7257593 | 0.79 | KMT2A (0.49) | KDM4EALDH1A1HPGDLMNASCN9A | |
| SCHEMBL20346300 | 0.77 | ADORA3 (0.49) | ALOX5KDM4EAHRADORA3CYP1A2 | |
| SCHEMBL20543723 | 0.76 | SCN9A (0.46) | ALDH1A1SCN9ATACR1TSHRMEN1 | |
| SCHEMBL21117776 | 0.76 | SCN9A (0.46) | ALDH1A1SCN9ATACR1TSHRMEN1 | |
| SCHEMBL27552224 | 0.76 | SCN9A (0.46) | ALDH1A1SCN9ATACR1TSHRMEN1 |
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 |