Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 2/20 | 0.50 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2564898 | 0.89 | NPC1 (0.46) | ABATALDH5A1ESR1ESR2MAPT | |
| SCHEMBL2528043 | 0.89 | TAAR1 (0.50) | ABATALDH5A1ALDH1A1CA2MAPT | |
| SCHEMBL4348469 | 0.89 | ESR1 (0.45) | ABATALDH5A1ESR1ESR2CA2 | |
| SCHEMBL8749818 | 0.84 | CALM1 (0.58) | ESR2ALDH1A1MAPTAPPKDM4E | |
| SCHEMBL7355796 | 0.81 | ESR1 (0.56) | ABATALDH5A1ESR1ESR2ALDH1A1 | |
| SCHEMBL8670278 | 0.80 | PRSS1 (0.43) | CA2CA12CA1CA4CA5A | |
| SCHEMBL8552842 | 0.79 | LCK (0.47) | ABATALDH1A1CA2CA12CA1 | |
| SCHEMBL8669516 | 0.77 | CYP2A6 (0.46) | ABATALDH5A1ALDH1A1MAPTKDM4E | |
| SCHEMBL7106133 | 0.76 | APP (0.50) | ESR1ESR2ALDH1A1CA2MAPT | |
| SCHEMBL7106127 | 0.76 | APP (0.50) | ESR1ESR2ALDH1A1CA2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026146-A | Stable antimicrobial peptide | 达纳-法伯癌症研究所股份有限公司 | 2018-05-11 | — | — | CN | disclosed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |