Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TASP1 | Q9H6P5 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12260643 | 0.88 | CALM1 (0.67) | CALM1CYP2C9CA1CA2LTA4H | |
| SCHEMBL14407042 | 0.86 | IDO1 (0.46) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL13865443 | 0.86 | ESR1 (0.74) | ALDH1A1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL21549598 | 0.86 | CYP3A4 (0.74) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL18409868 | 0.80 | CYP3A4 (0.50) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL10049612 | 0.79 | GFER (0.47) | ALDH1A1ESR1ESR2ADRA2ACA2 | |
| SCHEMBL14407091 | 0.76 | ESR2 (0.42) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL883553 | 0.76 | — | — | |
| SCHEMBL10064152 | 0.76 | — | — | |
| SCHEMBL24622462 | 0.75 | CA1 (0.54) | ALDH1A1CYP3A4TSHRTDP1CALM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2684887-B1 | New process for preparing arylboranes by arylation of organoboron compounds | UNIV BORDEAUX (FR) | 2015-06-17 | — | — | EP | disclosed |
| US-8574462-B2 | High temperature stable polyelectrolytes having backbone aromatic groups | ARKEMA INC. (US) | 2013-11-05 | — | — | US | disclosed |
| US-20100197816-A1 | HIGH TEMPERATURE STABLE POLYELECTROLYTES HAVING BACKBONE AROMATIC GROUPS | ARKEMA INC. (US) | 2010-08-05 | — | — | US | disclosed |