Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3819557 | 0.89 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL3819556 | 0.89 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL3823448 | 0.81 | ALDH1A1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL5224397 | 0.80 | TAAR1 (0.54) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL28712089 | 0.80 | ALDH1A1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL4667892 | 0.79 | ALDH1A1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| Ammonia Solution, Strong SCHEMBL11258422 | 0.79 | TAAR1 (0.53) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL430628 | 0.78 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL5219494 | 0.78 | ALDH1A1 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 | |
| SCHEMBL177095 | 0.78 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2118076-B1 | QUINOXALINE COMPOUNDS AND USE THEREOF | MERCK SERONO SA (CH) | 2019-09-04 | — | — | EP | disclosed |
| EP-2118076-A1 | QUINOXALINE COMPOUNDS AND USE THEREOF | Merck Serono S.A. (CH) | 2009-11-18 | — | — | EP | disclosed |
| WO-2008101979-A1 | QUINOXALINE COMPOUNDS AND USE THEREOF | MERCK SERONO S.A. (CH) | 2008-08-28 | — | — | WO | disclosed |