Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10658071 | 1.00 | CA2 (0.58) | CA2ALDH1A1TDP1HPGDL3MBTL1 | |
| SCHEMBL6787910 | 0.85 | CA2 (0.75) | CA2ALDH1A1TDP1HPGDL3MBTL1 | |
| SCHEMBL5537767 | 0.85 | CA2 (0.75) | CA2ALDH1A1TDP1HPGDL3MBTL1 | |
| SCHEMBL15904210 | 0.84 | CA2 (0.51) | CA2ALDH1A1TDP1L3MBTL1NPSR1 | |
| SCHEMBL15904212 | 0.84 | CA2 (0.51) | CA2ALDH1A1TDP1L3MBTL1NPSR1 | |
| SCHEMBL17323735 | 0.84 | TDP1 (0.57) | CA2ALDH1A1TDP1L3MBTL1HCRTR1 | |
| SCHEMBL31069941 | 0.83 | CA2 (0.66) | CA2ALDH1A1TDP1L3MBTL1HTT | |
| SCHEMBL6787220 | 0.82 | CA2 (0.59) | CA2 | |
| SCHEMBL6787214 | 0.82 | CA2 (0.59) | CA2 | |
| SCHEMBL11174620 | 0.82 | PARP1 (0.50) | ALDH1A1HCRTR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4734423-A | Method of solid cancer tumor treatment using isopropylpyrrolizine derivative | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1988-03-29 | — | — | US | disclosed |