Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 7/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 3/20 | 0.31 |
| ▸ | CTSV | O60911 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL17703309 | 0.85 | CTSK (0.37) | CTSSCTSK | |
| SCHEMBL15261520 | 0.82 | BCHE (0.31) | — | |
| SCHEMBL15273739 | 0.82 | BCHE (0.34) | AR | |
| SCHEMBL15261612 | 0.81 | HTR2C (0.36) | — | |
| SCHEMBL5572394 | 0.80 | ADORA2A (0.33) | ARCYP11B2 | |
| SCHEMBL2513632 | 0.80 | HPGD (0.36) | HPGDSMYD3NAMPT | |
| Hydrochloric Acid SCHEMBL15261504 | 0.79 | HTR2C (0.36) | — | |
| SCHEMBL18436593 | 0.78 | AR (0.30) | AR | |
| SCHEMBL24914928 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL15261449 | 0.73 | OPRL1 (0.35) | SMYD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2822953-B9 | MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | PFIZER (US) | 2017-06-21 | — | — | EP | disclosed |
| EP-2822953-B1 | MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | PFIZER (US) | 2017-02-01 | — | — | EP | disclosed |