Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2816581 | 0.89 | MAPK1 (0.40) | ALDH1A1MAPK1HPGDLMNANPC1 | |
| SCHEMBL17069691 | 0.83 | CYP2A6 (0.35) | CYP2A6ALDH1A1KDM4EMAPK1HPGD | |
| SCHEMBL19144067 | 0.82 | ESR1 (0.42) | ALDH1A1MAPK1HPGDMEN1MAPT | |
| SCHEMBL10534242 | 0.80 | TSHR (0.48) | ALDH1A1MAPK1HPGDNPC1RAB9A | |
| SCHEMBL18905523 | 0.78 | MAPK1 (0.33) | ALDH1A1MAPK1ALOX15 | |
| SCHEMBL16451453 | 0.78 | APP (0.42) | ALDH1A1MAPK1NPC1RAB9AMAPT | |
| SCHEMBL18156893 | 0.78 | MAPT (0.48) | ALDH1A1MAPK1HPGDLMNANPC1 | |
| SCHEMBL27438977 | 0.78 | KIF11 (0.41) | CYP2A6ALDH1A1KDM4ECA1CA2 | |
| SCHEMBL27438822 | 0.78 | TNKS (0.40) | CYP2A6ALDH1A1KDM4EMAPK1HPGD | |
| SCHEMBL43427 | 0.77 | MAPK1 (0.58) | ALDH1A1MAPK1MAPTKMT2ACYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |