Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.34 |
| ▸ | CDK1 | P06493 | 3/20 | 0.34 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.34 |
| ▸ | GSK3B | P49841 | 3/20 | 0.34 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | BLM | P54132 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9851857 | 0.83 | GSK3B (0.40) | HTR2AHTR2CCCNB2CDK1CCNB1 | |
| SCHEMBL10416854 | 0.71 | CNR1 (0.46) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL9851803 | 0.69 | CREBBP (0.39) | HTR2AHTR2CCCNB2CDK1CCNB1 | |
| SCHEMBL9851860 | 0.67 | CDK1 (0.44) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL9851810 | 0.64 | CHRM1 (0.44) | SMN1; SMN2ALOX12CHRM1PKMALDH1A1 | |
| SCHEMBL5256403 | 0.62 | OPRM1 (0.39) | CCNB2CDK1CCNB1GSK3BCCNB3 | |
| SCHEMBL9851815 | 0.62 | BRD4 (0.46) | HTR2AHTR2CSMN1; SMN2HPGDLMNA | |
| SCHEMBL16844310 | 0.57 | L3MBTL1 (0.48) | KDM4EMAPK1MEN1MAPTKMT2A | |
| SCHEMBL14996502 | 0.57 | PDE4A (0.44) | HTR2AHTR2CSMN1; SMN2KDM4ENPC1 | |
| SCHEMBL11384670 | 0.56 | ALOX12 (0.77) | SMN1; SMN2ALOX12CHRM1PKMALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4914201-A | CHEMICAL INTERMEDIATES FOR ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-04-03 | — | — | US | claimed |
| EP-0406719-A1 | 4h-indolo(1,2-d)(1,2,4)triazolo (4,3-a)(1,4)benzodiazepines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-01-09 | — | — | EP | disclosed |
| US-4914201-A | CHEMICAL INTERMEDIATES FOR ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-04-03 | — | — | US | disclosed |
| US-4897392-A | ANALGESICS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1990-01-30 | — | — | US | disclosed |