Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA9 | Q16790 | 4/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GALK1 | P51570 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17952999 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL5860453 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL30229819 | 0.81 | ALDH1A1 (0.37) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL28529430 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL7252936 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL7996888 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL6326133 | 0.80 | PDCD1 (0.35) | ALDH1A1CYP2A6HPGDMAPK1HTR1A | |
| Hydrochloric Acid SCHEMBL4094244 | 0.79 | ALDH1A1 (0.35) | ALDH1A1CYP2A6CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL4068167 | 0.79 | ALDH1A1 (0.35) | ALDH1A1CYP2A6CA12CA1CA2 | |
| SCHEMBL7039658 | 0.79 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CA12CA1CA2 |
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-RE38683-E1 | Preparation of titanocenes | BOULDER SCIENTIFIC COMPANY (US) | 2005-01-04 | — | — | US | disclosed |