Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7701012 | 0.80 | NOS3 (0.49) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL7705613 | 0.73 | NOS3 (0.45) | NOS3NOS2MAOACYP11B2KDM4E | |
| SCHEMBL7697911 | 0.73 | NOS3 (0.45) | NOS3NOS2MAOACYP11B2KDM4E | |
| SCHEMBL7705661 | 0.72 | NOS3 (0.44) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL163051 | 0.72 | MAPK10 (0.55) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL28190730 | 0.72 | NOS3 (0.55) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL29384557 | 0.72 | MAPK10 (0.55) | NOS3NOS2MAOAKDM4EALDH1A1 | |
| SCHEMBL31083746 | 0.71 | CYP11B1 (0.54) | NOS3NOS2CYP11B2ALDH1A1CYP19A1 | |
| SCHEMBL29537716 | 0.71 | CYP11B1 (0.54) | NOS3NOS2CYP11B2ALDH1A1CYP19A1 | |
| Hydrochloric Acid SCHEMBL27495714 | 0.70 | MAPK10 (0.54) | NOS3NOS2MAOAKDM4EALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018116072-A1 | HETEROCYCLIC COMPOUNDS | PI INDUSTRIES LTD. (IN) | 2018-06-28 | — | — | WO | disclosed |
| EP-3102570-A1 | MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES | Syngenta Participations AG (CH) | 2016-12-14 | — | — | EP | disclosed |
| WO-2015117563-A1 | MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2015-08-13 | — | — | WO | disclosed |
| EP-0901488-B1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | BASILEA PHARMACEUTICA AG (CH) | 2002-11-06 | — | — | EP | disclosed |
| EP-0901488-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-03-17 | — | — | EP | disclosed |
| US-5866583-A | Substituted 2,4-diaminopyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1997043277-A1 | 2,4-DIAMINOPYRIMIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-11-20 | — | — | WO | disclosed |