Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | LPAR1 | Q92633 | 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 | |
|---|---|---|---|---|
| SCHEMBL5956415 | 1.00 | HCAR2 (0.58) | HCAR2ALOX5CYP2D6CYP1A2PKM | |
| SCHEMBL27820414 | 1.00 | HCAR2 (0.58) | HCAR2ALOX5CYP2D6CYP1A2PKM | |
| SCHEMBL264866 | 1.00 | HCAR2 (0.58) | HCAR2ALOX5CYP2D6CYP1A2PKM | |
| Hydrochloric Acid SCHEMBL27791121 | 0.98 | HCAR2 (0.56) | HCAR2ALOX5CYP2D6CYP1A2PKM | |
| Hydrogen Sulfide SCHEMBL27486651 | 0.98 | HCAR2 (0.56) | HCAR2ALOX5CYP2D6CYP1A2PKM | |
| Methane SCHEMBL10711774 | 0.98 | HCAR2 (0.56) | HCAR2ALOX5CYP2D6CYP1A2PKM | |
| SCHEMBL10520492 | 0.91 | HCAR2 (0.50) | HCAR2ALOX5CYP2D6CYP1A2PKM | |
| Acrylic Acid SCHEMBL19712995 | 0.89 | HCAR2 (0.57) | HCAR2ALOX5CYP2D6CYP1A2PKM | |
| SCHEMBL14856086 | 0.89 | PTGS2 (0.55) | HCAR2ALOX5CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL9091695 | 0.86 | PARP10 (0.51) | HCAR2ALOX5CYP2D6SMN1; SMN2KMT2A |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1517708-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2005-03-30 | — | — | EP | claimed |
| WO-2004000355-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2003-12-31 | — | — | WO | claimed |
| JP-4178346-A | — | — | None | — | — | JP | disclosed |
| CN-115477634-A | Compound for analgesia and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2022-12-16 | — | — | CN | disclosed |
| CN-112159401-B | Biased agonist and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2022-06-03 | — | — | CN | disclosed |
| CN-105142635-B | Heterocyclic compounds useful for the treatment of diseases | 艾匹根生物技术有限公司 | 2021-07-27 | — | — | CN | disclosed |
| CN-112159401-A | Biased agonist and medical application thereof | 中国人民解放军军事科学院军事医学研究院 | 2021-01-01 | — | — | CN | disclosed |
| CN-107074675-B | Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol | 四川海思科制药有限公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-103596566-B | Polycyclic LPA1Antagonists and uses thereof | 阿米拉制药公司 | 2017-08-25 | — | — | CN | disclosed |
| CN-107074675-A | Preparation method of chiral 2- [ 1-cyclopropylethyl ] -6-isopropyl-phenol | 四川海思科制药有限公司 | 2017-08-18 | — | — | CN | disclosed |
| WO-2011159632-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF CONDITIONS OR DISEASES OF THE EYE | AMIRA PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | WO | disclosed |
| WO-2011159635-A1 | LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONIST FOR THE TREATMENT OF DERMAL CONDITIONS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-12-22 | — | — | WO | disclosed |
| WO-2009124022-A1 | 2 -AMINOTETRALIN DERIVATIVES AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-10-08 | — | — | WO | disclosed |
| WO-2009076399-A2 | AMINOTETRALIN COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS | THERAVANCE, INC. (US) | 2009-06-18 | — | — | WO | disclosed |
| EP-1517708-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000355-A1 | COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2003-12-31 | — | — | WO | disclosed |
| JP-H04178346-A | METHOD FOR OPTICAL RESOLUTION OF MUSCONE | KURARAY CO LTD | 1992-06-25 | — | — | JP | disclosed |
| US-4948791-A | ANTITUMOR AGENTS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 1990-08-14 | — | — | US | disclosed |