Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 6/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.58 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.58 |
| ▸ | RELA | Q04206 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL30030754 | 0.93 | LMNA (0.69) | LMNACYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL9905870 | 0.91 | LMNA (0.65) | LMNACYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL17515627 | 0.91 | LMNA (0.65) | LMNACYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL27483273 | 0.89 | LMNA (0.64) | LMNACYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL15255112 | 0.89 | LMNA (0.74) | LMNACYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL9407176 | 0.89 | LMNA (0.74) | LMNACYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL5706230 | 0.89 | KMT2A (0.70) | LMNACYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL11672162 | 0.89 | TP53 (0.64) | LMNACYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL4057883 | 0.88 | MAOB (0.60) | LMNACYP1A2CYP2C19CYP2C9NPC1 | |
| SCHEMBL4057112 | 0.88 | MAOB (0.60) | LMNACYP1A2CYP2C19CYP2C9NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0598756-B1 | ESTER COMPOSITION | SHELL INT RESEARCH (NL) | 1996-06-05 | — | — | EP | disclosed |
| US-5332858-A | Esterification with active phenolic ether and chloroformyl group and active phenol | SHELL OIL COMPANY (US) | 1994-07-26 | — | — | US | disclosed |
| EP-0598756-A1 | ESTER COMPOSITION. | SHELL INT RESEARCH (NL) | 1994-06-01 | — | — | EP | disclosed |
| WO-1993002038-A1 | ESTER COMPOSITION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1993-02-04 | — | — | WO | disclosed |