Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | CNR1 | P21554 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11552591 | 0.95 | SLC22A12 (0.44) | SLC22A12ESR2CNR1CNR2MAPT | |
| SCHEMBL11553092 | 0.95 | SLC22A12 (0.44) | SLC22A12ESR2CNR1CNR2MAPT | |
| SCHEMBL11547390 | 0.95 | CNR1 (0.45) | SLC22A12CNR1CNR2MAPTSMN1; SMN2 | |
| SCHEMBL11547983 | 0.93 | SLC22A12 (0.43) | SLC22A12ESR2CNR1CNR2MAPT | |
| SCHEMBL11556350 | 0.93 | HPGD (0.46) | SLC22A12ESR2MAPTXDHCYP3A4 | |
| SCHEMBL11549202 | 0.93 | ALDH1A1 (0.48) | SLC22A12CNR1CNR2MAPTSMN1; SMN2 | |
| SCHEMBL11552880 | 0.93 | ALDH1A1 (0.45) | SLC22A12ESR2CNR1CNR2MAPT | |
| SCHEMBL11547207 | 0.91 | SLC22A12 (0.47) | SLC22A12ESR2MAPTNPC1ALOX15 | |
| SCHEMBL11547297 | 0.90 | ESR1 (0.46) | SLC22A12ESR2ESR1 | |
| SCHEMBL11552140 | 0.89 | CNR1 (0.45) | CNR1CNR2MAPTSMN1; SMN2NPC1 |
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-4133814-A | ANTITUMOR AGENTS | ELI LILLY AND COMPANY (US) | 1979-01-09 | — | — | US | disclosed |