Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.44 |
| ▸ | CCR5 | P51681 | 2/20 | 0.44 |
| ▸ | CCR8 | P51685 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29958138 | 0.73 | CCR1 (0.48) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL200776 | 0.73 | CCR1 (0.48) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL1305842 | 0.67 | LMNA (0.39) | CCR1CCR5CCR8NOS3NOS2 | |
| SCHEMBL469189 | 0.65 | — | — | |
| SCHEMBL27409919 | 0.65 | CCR1 (0.44) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL20312290 | 0.65 | HSP90AA1 (0.38) | — | |
| SCHEMBL11247295 | 0.64 | CA2 (0.48) | MAPTALDH1A1CYP2A6TDP1MEN1 | |
| Hydrochloric Acid SCHEMBL8199076 | 0.64 | CCR1 (0.43) | CCR1CCR5CCR8HDAC6NOS3 | |
| Abametapir SCHEMBL351152 | 0.63 | CCR1 (1.00) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL31218494 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5618807-A | Method for preparing 17-substituted steroids useful in cancer treatment | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-04-08 | — | — | US | disclosed |
| US-5604213-A | STEROID DEPENDENT CANCERS SUCH AS PROSTATE AND BREAST CANCER | BRITISH TECHNOLOGY GROUP LIMITED (GB) | 1997-02-18 | — | — | US | disclosed |