Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.55 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8777028 | 0.85 | CES1 (0.51) | CES1SRCTSHRCYP2D6CYP2C19 | |
| SCHEMBL28569931 | 0.85 | CES1 (0.55) | CES1SRCTSHRCTNNB1LMNA | |
| SCHEMBL9005043 | 0.83 | CES1 (0.44) | CES1SRCTSHRCYP1A2CYP2D6 | |
| SCHEMBL28581432 | 0.83 | CES1 (0.53) | CES1SRCTSHRCYP2D6LMNA | |
| SCHEMBL7593642 | 0.81 | CES1 (0.43) | CES1SRCTSHRCYP1A2CYP2D6 | |
| SCHEMBL28536864 | 0.81 | CES1 (0.51) | CES1SRCTSHRLMNAPOLB | |
| SCHEMBL2543709 | 0.81 | CES1 (0.47) | CES1SRCTSHRLMNACES2 | |
| SCHEMBL9015197 | 0.80 | CES1 (0.47) | CES1SRCTSHRLMNACES2 | |
| SCHEMBL28575903 | 0.80 | CES1 (0.47) | CES1SRCTSHRLMNACES2 | |
| SCHEMBL28611566 | 0.79 | CES1 (0.49) | CES1SRCTSHRKMT2ATDP1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109265328-B | Method for green synthesis of benzoin diether driven by visible light | 兰州大学 | 2021-06-04 | — | — | CN | disclosed |
| EP-1411942-A4 | SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS | SYNAPTIC PHARMA CORP (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1411942-A1 | SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS | Synaptic Pharmaceutical Corporation (US) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003004027-A1 | SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 2003-01-16 | — | — | WO | disclosed |
| EP-0817787-A4 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS INC (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1998010286-A1 | METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS | ISIS PHARMACEUTICALS, INC. (US) | 1998-03-12 | — | — | WO | disclosed |
| EP-0817787-A1 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS, INC. (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996030377-A1 | NITROGENOUS MACROCYCLIC COMPOUNDS | ISIS PHARMACEUTICALS, INC. (US) | 1996-10-03 | — | — | WO | disclosed |
| US-5393890-A | Piperidine derivatives and hypotensives containing the same | AJINOMOTO CO., INC. (JP) | 1995-02-28 | — | — | US | disclosed |
| EP-0278543-B1 | PROCESS AND COMPOSITION FOR INHIBITING HIGH-TEMPERATURE IRON AND STEEL CORROSION | PUMPTECH N.V. (BE) | 1992-09-23 | — | — | EP | disclosed |
| US-5096618-A | Mixture of unsaturated aromatic ketone and quaternized quinoline compound, protection of oil well casings | DOWELL SCHLUMBERGER INCORPORATED (US) | 1992-03-17 | — | — | US | disclosed |
| CN-88100650-A | Anti-inflammatory agent | — | 1988-10-19 | — | — | CN | disclosed |
| EP-0278543-A1 | Process and composition for inhibiting high-temperature iron and steel corrosion | PUMPTECH N.V. (BE) | 1988-08-17 | — | — | EP | disclosed |