Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.49 |
| ▸ | ABCC9 | O60706 | 5/20 | 0.48 |
| ▸ | KCNJ11 | Q14654 | 5/20 | 0.48 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.45 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18235930 | 0.83 | MMP2 (0.47) | MMP2ABCC9KCNJ11HTTSMN1; SMN2 | |
| SCHEMBL27533277 | 0.80 | MMP2 (0.52) | MMP2ABCC9KCNJ11HTTSMN1; SMN2 | |
| SCHEMBL7347226 | 0.80 | PLK1 (0.67) | ABCC9KCNJ11ABCC8KCNJ8PLK1 | |
| SCHEMBL8372683 | 0.80 | PLK1 (0.67) | ABCC9KCNJ11ABCC8KCNJ8PLK1 | |
| SCHEMBL7522122 | 0.79 | MMP2 (0.55) | MMP2ABCC9KCNJ11HTTSMN1; SMN2 | |
| SCHEMBL7672609 | 0.79 | ABCC9 (0.41) | MMP2ABCC9KCNJ11ABCC8KCNJ8 | |
| SCHEMBL6699435 | 0.77 | MMP2 (0.49) | MMP2ABCC9KCNJ11HTTSMN1; SMN2 | |
| SCHEMBL20987319 | 0.76 | MMP2 (0.52) | MMP2ABCC9KCNJ11HTTSMN1; SMN2 | |
| SCHEMBL6068057 | 0.75 | IDO1 (0.55) | ABCC9KCNJ11HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL11671851 | 0.74 | MMP2 (0.50) | MMP2ABCC9KCNJ11KIF11CYP2A6 |
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 |