Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9818511 | 0.83 | ESR1 (0.32) | — | |
| SCHEMBL8353894 | 0.81 | LMNA (0.50) | LMNACYP2A6CES2CES1ENPP2 | |
| SCHEMBL28501911 | 0.73 | ESR1 (0.39) | CYP3A4L3MBTL1TDP1HTTALDH1A1 | |
| SCHEMBL4434791 | 0.73 | ESR1 (0.39) | CYP3A4L3MBTL1TDP1HTTALDH1A1 | |
| SCHEMBL152775 | 0.73 | LMNA (0.57) | LMNACYP2A6CES2CES1ENPP2 | |
| SCHEMBL31325559 | 0.71 | LMNA (0.53) | LMNACYP2A6CES2CES1ENPP2 | |
| Bromide SCHEMBL28414241 | 0.71 | LMNA (0.53) | LMNACYP2A6CES2CES1ENPP2 | |
| SCHEMBL2879752 | 0.71 | LMNA (0.53) | LMNACYP2A6CES2CES1ENPP2 | |
| SCHEMBL7596456 | 0.71 | LMNA (0.53) | LMNACYP2A6CES2CES1ENPP2 | |
| SCHEMBL2154365 | 0.71 | LMNA (0.53) | LMNACYP2A6CES2CES1ENPP2 |
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-5861107-A | ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-19 | — | — | US | disclosed |
| US-4000239-A | PROCESS FOR SPINNING NAPHTHALATE POLYESTER FIBERS | TEIJIN LIMITED (JA) | 1976-12-28 | — | — | US | disclosed |