Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.46 |
| ▸ | HTR3B | O95264 | 3/20 | 0.46 |
| ▸ | HTR3A | P46098 | 3/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.44 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | NCF1 | P14598 | 1/20 | 0.42 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22471065 | 0.84 | HSD11B1 (0.46) | ALDH1A1USP2TSHRHSD17B10KDM4E | |
| SCHEMBL18742793 | 0.79 | HSD11B1 (0.48) | ALDH1A1USP2TSHRHSD17B10KDM4E | |
| SCHEMBL8110532 | 0.77 | ADRB1 (0.54) | ALDH1A1USP2TSHRHSD17B10KDM4E | |
| SCHEMBL5572597 | 0.76 | LMNA (0.55) | ALDH1A1TSHRLMNASIGMAR1 | |
| SCHEMBL572738 | 0.75 | ACVR1 (0.66) | ALDH1A1USP2TSHRHSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL3133889 | 0.73 | ACVR1 (0.64) | ALDH1A1USP2TSHRHSD17B10KDM4E | |
| SCHEMBL4219088 | 0.73 | OPRM1 (0.42) | ALDH1A1KDM4ELMNA | |
| SCHEMBL5570604 | 0.73 | ADRB1 (0.77) | ALDH1A1USP2TSHRHSD17B10KDM4E | |
| Phenylpiperazine SCHEMBL2002893 | 0.73 | ADRB1 (0.77) | ALDH1A1USP2TSHRHSD17B10KDM4E | |
| Tert-Butyl Formate SCHEMBL28033047 | 0.73 | ADRB1 (0.39) | ALDH1A1USP2TSHRHSD17B10KDM4E |
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 |