Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | GSK3B | P49841 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.47 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | HRH2 | P25021 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17487305 | 0.92 | NPC1 (0.58) | CA1CA2NPC1RAB9AGSK3B | |
| SCHEMBL13944269 | 0.82 | MEN1 (0.54) | MEN1CYP2D6KMT2AALDH1A1EPHX2 | |
| SCHEMBL9667067 | 0.80 | CA1 (0.47) | CA1CA2NPC1RAB9AGSK3B | |
| SCHEMBL6257275 | 0.77 | MEN1 (0.81) | MEN1KMT2AALDH1A1EPHX2 | |
| SCHEMBL2811741 | 0.77 | GSK3B (0.56) | GSK3BKMT2AHRH2HRH1 | |
| SCHEMBL21793705 | 0.77 | GSK3B (0.53) | CA1CA2NPC1RAB9AGSK3B | |
| SCHEMBL11362878 | 0.76 | DGAT1 (0.54) | CA1CA2NPC1RAB9AGSK3B | |
| SCHEMBL11362876 | 0.76 | DGAT1 (0.54) | CA1CA2NPC1RAB9AGSK3B | |
| SCHEMBL8953567 | 0.76 | GSK3B (0.51) | CA1CA2NPC1RAB9AGSK3B | |
| SCHEMBL5370517 | 0.76 | MGLL (0.57) | CA1CA2NPC1RAB9AMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729460-B1 | SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE | HOECHST AG (DE) | 2002-05-15 | — | — | EP | disclosed |
| US-6191282-B1 | DERIVATIVES OF 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC RING IS USED AS ANTICARCINOGENIC AGENT AND ANTICOAGULANT | HOECHST MARION ROUSSEL (DE) | 2001-02-20 | — | — | US | disclosed |
| US-5981492-A | ADMINISTERED TO THE PATIENT TO INHIBIT THROMBOCYTE AGGREGATION, THE METASTASIZATION OF CARCINOMA CELLS, THE BINDING OF OSTEOCLASTS TO THE BONE SURFACE, OR FOR THE TREATMENT OF THROMBOSES | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-11-09 | — | — | US | disclosed |
| CN-1134696-A | Substituted 5-membered heterocycles, process for their preparation and their use | CASSELLA FARBWERKE MAINKUR AG (DE) | 1996-10-30 | — | — | CN | disclosed |
| EP-0729460-A1 | SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-09-04 | — | — | EP | disclosed |
| WO-1995014008-A1 | SUBSTITUTED 5-RING HETEROCYCLES, THEIR PREPARATION AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-05-26 | — | — | WO | disclosed |