Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.44 |
| ▸ | HTR3B | O95264 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.36 |
| ▸ | PMM2 | O15305 | 1/20 | 0.36 |
| ▸ | MPI | P34949 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7647727 | 0.85 | KMT2A (0.40) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7793217 | 0.75 | HTR3E (0.44) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL1547878 | 0.70 | HTR3E (0.52) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9819757 | 0.69 | HTR3E (0.46) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7648246 | 0.69 | MAPK1 (0.47) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL31576798 | 0.69 | MAPK1 (0.62) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL9129351 | 0.69 | MAPK1 (0.62) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8759349 | 0.69 | MAPK1 (0.62) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL29375842 | 0.69 | MAPK1 (0.62) | KMT2AHTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8750708 | 0.69 | TDP1 (0.40) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002500641-A | — | — | 2002-01-08 | — | — | JP | claimed |
| CN-1259119-A | Substituted 3, 3-diamino-2-propenenitriles, their preparation and use | NOVO NORDISK AS (DK) | 2000-07-05 | — | — | CN | claimed |
| EP-0998451-A1 | SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2000-05-10 | — | — | EP | claimed |
| WO-1998050344-A1 | SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1998-11-12 | — | — | WO | claimed |
| CN-1259119-A | Substituted 3, 3-diamino-2-propenenitriles, their preparation and use | NOVO NORDISK AS (DK) | 2000-07-05 | — | — | CN | disclosed |
| EP-0998451-A1 | SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 2000-05-10 | — | — | EP | disclosed |
| WO-1998050344-A1 | SUBSTITUTED 3,3-DIAMINO-2-PROPENENITRILES, THEIR PREPARATION AND USE | NOVO NORDISK A/S (DK) | 1998-11-12 | — | — | WO | disclosed |