Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9426583 | 0.95 | TP53 (0.46) | TP53TSHRALDH1A1HPGDALOX15 | |
| SCHEMBL9734639 | 0.94 | SIGMAR1 (0.47) | TP53TSHRALDH1A1HPGDALOX15 | |
| SCHEMBL18685979 | 0.92 | TDP1 (0.52) | TSHRHPGDSLC6A2SLC6A4SLC6A3 | |
| SCHEMBL18863925 | 0.90 | TSHR (0.39) | TP53TSHRALDH1A1HPGDALOX15 | |
| SCHEMBL1678858 | 0.87 | TSHR (0.43) | TSHRALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL28042751 | 0.87 | TSHR (0.43) | TP53TSHRALDH1A1HPGDALOX15 | |
| SCHEMBL20553745 | 0.87 | HTR2A (0.46) | ALDH1A1TAAR1MAOACYP2A6ANPEP | |
| SCHEMBL9466936 | 0.87 | HTR2A (0.46) | ALDH1A1TAAR1MAOACYP2A6ANPEP | |
| SCHEMBL8095896 | 0.84 | SIGMAR1 (0.46) | TP53TSHRALDH1A1HPGDALOX15 | |
| SCHEMBL30757823 | 0.83 | MMP12 (0.50) | TAAR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017147333-A1 | BACTERIAL EFFLUX PUMP INHIBITORS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-08-31 | — | — | WO | disclosed |
| CN-1829725-A | aromatic monomer and conjugated polymer-metal complex | SUMITOMO CHEMICAL CO (JP) | 2006-09-06 | — | — | CN | disclosed |
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |