Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.34 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.32 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CCR6 | P51684 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| SCHEMBL8418644 | 0.84 | DAGLA (0.35) | LMNANPSR1HTTPKMNLRP3 | |
| SCHEMBL8417361 | 0.83 | DAGLA (0.34) | LMNANPSR1HTTPKMNLRP3 | |
| SCHEMBL1121488 | 0.83 | LMNA (0.35) | LMNANPSR1HTTPKMNLRP3 | |
| SCHEMBL6854704 | 0.83 | ALDH1A1 (0.39) | LMNANPSR1HTTPKMNLRP3 | |
| SCHEMBL2359649 | 0.83 | LMNA (0.35) | LMNANPSR1HTTPKMNLRP3 | |
| SCHEMBL9087766 | 0.81 | CNR2 (0.41) | ALDH1A1POLBHSD11B1KMT2A | |
| SCHEMBL14032263 | 0.80 | AGTR1 (0.35) | LMNANPSR1HTTPKMNLRP3 | |
| SCHEMBL22615880 | 0.80 | HSD11B1 (0.36) | LMNANPSR1ALDH1A1AGTR1AGTR2 | |
| SCHEMBL3260686 | 0.80 | CYP2A6 (0.34) | LMNANPSR1HTTPKMNLRP3 | |
| SCHEMBL2164161 | 0.79 | KDM4C (0.40) | LMNAALDH1A1POLBHSD11B1KDM4C |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| CN-1227261-C | Monocyclic compounds with four bifunctional residues having NK-2 antagonist action | MENARINI RICERCHE SPA (IT) | 2005-11-16 | — | — | CN | disclosed |
| US-6780968-B1 | NEUROKININ-2 (NK-2) ANTAGONISTS USEFUL IN THE TREATMENT OR PREVENTION OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM, INFLAMMATORY DISEASES, ASTHMA, OR PAIN | MENARINI RICERCHE S.P.A. (IT) | 2004-08-24 | — | — | US | disclosed |
| EP-1017711-B1 | MONOCYCLIC COMPOUNDS WITH FOUR BIFUNCTIONAL RESIDUES HAVING NK-2 ANTAGONIST ACTION | MENARINI RICERCHE SPA (IT) | 2003-07-23 | — | — | EP | disclosed |
| EP-1017711-A2 | MONOCYCLIC COMPOUNDS WITH FOUR BIFUNCTIONAL RESIDUES HAVING NK-2 ANTAGONIST ACTION | Menarini Ricerche S.p.A. (IT) | 2000-07-12 | — | — | EP | disclosed |
| CN-1246866-A | Monocyclic compound with four bifunctional groups and NK-2 antagonistic effect | MENARINI RICERCHE SPA (IT) | 2000-03-08 | — | — | CN | disclosed |
| EP-0684257-B1 | Pseudopeptide derivatives of neurokinines, process for their preparation and pharmaceutical compositions comprising them | ADIR (FR) | 1999-09-22 | — | — | EP | disclosed |
| WO-1998034949-A2 | MONOCYCLIC COMPOUNDS WITH FOUR BIFUNCTIONAL RESIDUES HAVING NK-2 ANTAGONIST ACTION | MENARINI RICERCHE S.P.A. (IT) | 1998-08-13 | — | — | WO | disclosed |
| US-5561113-A | ANALGESICS; ANTIIFLAMMATORY AGENTS; GASTROINTESTINAL, UROGENITAL AND NERVOUS SYSTEM(CNS) DISORDERS; ASTHMA; ANTIALLERGENS | ADIR ET COMPAGNIE (FR) | 1996-10-01 | — | — | US | disclosed |
| CN-1120548-A | New pseudopeptide compounds of neurokinins, process for preparing them and pharmaceutical compositions containing them | ADIR (FR) | 1996-04-17 | — | — | CN | disclosed |
| EP-0684257-A1 | Pseudopeptide derivatives of neurokinines, process for their preparation and pharmaceutical compositions comprising them | ADIR ET COMPAGNIE (FR) | 1995-11-29 | — | — | EP | disclosed |