Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 2/20 | 0.45 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.38 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.35 |
| ▸ | FEN1 | P39748 | 2/20 | 0.35 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9310483 | 0.86 | EGLN1 (0.46) | CFTRCTSSCTSKALDH1A1NPSR1 | |
| SCHEMBL9310492 | 0.86 | EGLN1 (0.46) | CFTRCTSSCTSKALDH1A1NPSR1 | |
| SCHEMBL7904464 | 0.84 | ALDH1A1 (0.49) | ALDH1A1P2RX1HPGDMAPK1 | |
| SCHEMBL31113950 | 0.77 | NPSR1 (0.54) | NPSR1BCL2L1P2RX1MAPK1 | |
| SCHEMBL27883930 | 0.77 | CFTR (0.67) | CFTRALDH1A1P2RX1KDM4EHPGD | |
| SCHEMBL5102312 | 0.73 | MLYCD (0.53) | NPSR1 | |
| SCHEMBL9311399 | 0.73 | ALDH1A1 (0.50) | ALDH1A1P2RX1KDM4EHPGDMAPK1 | |
| SCHEMBL9311405 | 0.73 | ALDH1A1 (0.50) | ALDH1A1P2RX1KDM4EHPGDMAPK1 | |
| SCHEMBL31160842 | 0.71 | KEAP1 (0.49) | ALDH1A1BCL2L1SCN9AKDM4EHPGD | |
| SCHEMBL18106794 | 0.71 | MAOA (0.41) | ALDH1A1BCL2L1KDM4EHPGDHSD17B10 |
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-6201119-B1 | 2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-9-AMINE COMPOUNDS USEFUL AS INTERMEDIATES TO ANTIVIRALS | JANSSEN PHARMACEUTICA N.V. (BE) | 2001-03-13 | — | — | US | disclosed |