Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | MDH1 | P40925 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9001495 | 0.99 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EHSD17B10KDR | |
| SCHEMBL9037527 | 0.91 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EHSD17B10KDR | |
| SCHEMBL8923783 | 0.89 | GFER (0.42) | ALDH1A1HPGDKDM4EHSD17B10TNFSF11 | |
| SCHEMBL9036400 | 0.88 | ADRA2A (0.53) | ALDH1A1HPGDKDM4EHSD17B10KDR | |
| SCHEMBL9037585 | 0.88 | PARP1 (0.48) | ALDH1A1HPGDKDM4EHSD17B10KDR | |
| SCHEMBL9037637 | 0.88 | GFER (0.56) | ALDH1A1HPGDKDM4EGFERNPSR1 | |
| SCHEMBL8985883 | 0.88 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4EHSD17B10KDR | |
| SCHEMBL9038145 | 0.88 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EHSD17B10KDR | |
| SCHEMBL8985808 | 0.87 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4EHSD17B10TNFSF11 | |
| Hydrochloric Acid SCHEMBL8985797 | 0.87 | ALDH1A1 (0.49) | ALDH1A1HPGDKDM4EHSD17B10KDR |
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-0507861-B1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | UPJOHN CO (US) | 1996-09-11 | — | — | EP | claimed |
| WO-1991009849-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-07-11 | — | — | WO | claimed |