Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6718471 | 0.98 | EPHX1 (0.42) | CYP1A2EPHX1ALDH1A1LSSPKM | |
| SCHEMBL25269130 | 0.98 | EPHX1 (0.42) | CYP1A2EPHX1ALDH1A1LSSPKM | |
| SCHEMBL28756382 | 0.98 | EPHX1 (0.42) | CYP1A2EPHX1ALDH1A1LSSPKM | |
| SCHEMBL1986714 | 0.93 | — | — | |
| SCHEMBL9979438 | 0.90 | CYP1A2 (0.48) | CYP1A2EPHX1ALDH1A1LSSPKM | |
| SCHEMBL548259 | 0.88 | CYP1A2 (0.50) | CYP1A2EPHX1ALDH1A1LSSPKM | |
| SCHEMBL11860033 | 0.88 | CYP1A2 (0.47) | CYP1A2EPHX1ALDH1A1LSSHTT | |
| SCHEMBL9979342 | 0.88 | CYP1A2 (0.47) | CYP1A2EPHX1ALDH1A1LSSHTT | |
| SCHEMBL9979053 | 0.88 | CYP1A2 (0.47) | CYP1A2EPHX1ALDH1A1LSSHTT | |
| SCHEMBL9979063 | 0.88 | CYP1A2 (0.47) | CYP1A2EPHX1ALDH1A1LSSHTT |
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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | WO | claimed |
| EP-0100630-B1 | PROSTAGLANDIN E1 ANALOGUES | ONO PHARMACEUTICAL CO., LTD. (JP) | 1986-04-02 | — | — | EP | claimed |
| US-4473587-A | PREVENTION OF CYTODAMAGE TO GASTROINTESTINAL SYSTEM OR LIVER | ONO PHARMACEUTICAL CO., LTD. (JP) | 1984-09-25 | — | — | US | claimed |
| EP-0100630-A2 | Prostaglandin E1 analogues | ONO PHARMACEUTICAL CO., LTD. (JP) | 1984-02-15 | — | — | EP | claimed |
| WO-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |
| US-5639885-A | Redox amino acids and peptides containing them | UNIVERSITY OF FLORIDA (US) | 1997-06-17 | — | — | US | disclosed |
| US-5637601-A | ANTIPERSPIRANT, MYDRIATIC, ANTISECRETORY AGENTS | UNIVERSITY OF FLORIDA (US) | 1997-06-10 | — | — | US | disclosed |
| US-5618826-A | Anticholinergic compounds, compositions and methods of treatment | UNIVERSITY OF FLORIDA (US) | 1997-04-08 | — | — | US | disclosed |
| US-5618803-A | TO BRAIN | UNIVERSITY OF FLORIDA (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0539493-B1 | TARGETED DRUG DELIVERY VIA PHOSPHONATE DERIVATIVES | BODOR NICHOLAS S (US) | 1997-03-26 | — | — | EP | disclosed |
| US-5610188-A | MYDRIATICS, ANTIPERSPIRANTS | UNIVERSITY OF FLORIDA (US) | 1997-03-11 | — | — | US | disclosed |
| US-5576332-A | Soft β-drenegic blocking agents | IVAX International GmbH (CH) | 1996-11-19 | — | — | US | disclosed |
| US-3933900-A | ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |
| US-3933899-A | ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |
| US-3933896-A | ANTICOAGULANTS, ASTHMA, LABOR INDUCERS, CERVICAL DILATION | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |
| US-3933898-A | ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |
| US-3933897-A | ANTIULCER, ASTHMA, RENAL DYSFUNCTION | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |
| US-3931284-A | 11β-PGE2 compounds | THE UPJOHN COMPANY (US) | 1976-01-06 | — | — | US | disclosed |
| US-3931283-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1976-01-06 | — | — | US | disclosed |
| US-3931289-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1976-01-06 | — | — | US | disclosed |