Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10044377 | 0.86 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHRTDP1EPHX2 | |
| SCHEMBL17599662 | 0.82 | TDP1 (0.32) | ALDH1A1CYP3A4TDP1CYP1A2CYP2D6 | |
| SCHEMBL12023038 | 0.82 | TSHR (0.46) | ALDH1A1CYP3A4TSHRTDP1CYP1A2 | |
| SCHEMBL17613680 | 0.80 | TDP1 (0.31) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5596714 | 0.80 | TDP1 (0.31) | CYP3A4TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17613625 | 0.79 | — | — | |
| SCHEMBL28609506 | 0.79 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL28607429 | 0.79 | ALDH1A1 (0.33) | ALDH1A1TSHR | |
| SCHEMBL6001508 | 0.79 | CYP2C19 (0.40) | ALDH1A1CA2TSHRCYP2C19 | |
| SCHEMBL5854800 | 0.79 | CYP2C19 (0.40) | ALDH1A1CA2TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-8304468-B2 | Polymers comprising thioester bonds | DSM IP ASSETS B.V. (NL) | 2012-11-06 | — | — | US | disclosed |
| US-20090156707-A1 | Polymers comprising thioester bonds | DSM IP ASSETS B.V. (NL) | 2009-06-18 | — | — | US | disclosed |