Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14930703 | 0.85 | TSHR (0.51) | CYP1A2TDP1TSHRMAPTCYP3A4 | |
| SCHEMBL8909059 | 0.85 | TSHR (0.51) | CYP1A2TDP1TSHRMAPTCYP3A4 | |
| SCHEMBL17718252 | 0.85 | TDP1 (0.44) | CYP1A2TDP1TSHRMAPTCYP3A4 | |
| SCHEMBL7199378 | 0.81 | TDP1 (0.42) | TDP1TSHRMAPTCYP3A4 | |
| SCHEMBL16488808 | 0.81 | TDP1 (0.46) | TDP1TSHRSLC6A3MEN1NFKB1 | |
| SCHEMBL7781883 | 0.81 | TDP1 (0.46) | TDP1TSHRSLC6A3MEN1NFKB1 | |
| SCHEMBL7781880 | 0.81 | TDP1 (0.46) | TDP1TSHRMAPTCYP3A4 | |
| SCHEMBL7191532 | 0.79 | TDP1 (0.45) | TDP1TSHRMEN1KMT2AMAPT | |
| SCHEMBL18280854 | 0.79 | TET2 (0.48) | CYP1A2TDP1TSHRSLC6A2SLC6A4 | |
| SCHEMBL18280853 | 0.79 | TET2 (0.48) | CYP1A2TDP1TSHRSLC6A2SLC6A4 |
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-5670701-A | CARBONYLATION OF ALKYL 2 OR 3-PENTENOATE AND ESTERIFICATION WITH ALCOHOL IN THE PRESENCE OF COBALT CATALYST AND NITROGEN BASE | RHONE-POULENC CHIMIE (FR) | 1997-09-23 | — | — | US | disclosed |
| CN-1072676-A | PROCESS FOR PREPARING HEXANE DIACID ALKYL ESTER | RHONE POULENC IND (FR) | 1993-06-02 | — | — | CN | disclosed |