Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TASP1 | Q9H6P5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23638854 | 0.88 | CYP3A4 (0.64) | CYP3A4TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL20039883 | 0.82 | CYP3A4 (0.80) | CYP3A4TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL9654390 | 0.78 | NOS3 (0.52) | CA1CA2CA4CA6NOS3 | |
| SCHEMBL18625893 | 0.78 | NOS3 (0.50) | TSHRADRA2AADRA2BADRA2CSLC22A2 | |
| SCHEMBL12955721 | 0.78 | PLAU (0.52) | TSHRALDH1A1TDP1CYP2C9MAPK1 | |
| SCHEMBL12182788 | 0.78 | TSHR (0.43) | CYP3A4TSHRADRA2AADRA2BADRA2C | |
| SCHEMBL18118416 | 0.74 | CA2 (0.52) | CYP3A4TSHRALDH1A1TDP1ESR1 | |
| SCHEMBL23142745 | 0.74 | LPL (0.45) | CYP3A4CYP2C9P2RY6MGLLCA2 | |
| SCHEMBL13190235 | 0.72 | HRH3 (0.56) | TSHRALDH1A1CYP2C9ALOX15HSD17B10 | |
| SCHEMBL12583761 | 0.71 | ALDH1A1 (0.32) | CYP3A4ALDH1A1TDP1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9790239-B1 | Polyboroaminals | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2017-10-17 | — | — | US | disclosed |
| WO-2010052104-A1 | SECURIZATION WITH DYE DIFFUSION TRANSFER LAMINATES | AGFA-GEVAERT N.V. (BE) | 2010-05-14 | — | — | WO | disclosed |
| EP-2181851-A1 | Securization with dye diffusion transfer laminates | AGFA-GEVAERT N.V. (BE) | 2010-05-05 | — | — | EP | disclosed |