Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CFTR | P13569 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 9/20 | 0.35 |
| ▸ | P2RX1 | P51575 | 2/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | RXRB | P28702 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7905588 | 1.00 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL7904468 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HPGDP2RX1 | |
| SCHEMBL7904472 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HPGDP2RX1 | |
| SCHEMBL1202626 | 0.74 | KDM4E (0.62) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL9310483 | 0.74 | EGLN1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL9310492 | 0.74 | EGLN1 (0.46) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL27883930 | 0.69 | CFTR (0.67) | ALDH1A1KDM4EHPGDHSD17B10CFTR | |
| SCHEMBL24722332 | 0.69 | MEN1 (0.35) | ALDH1A1KDM4EHPGD | |
| SCHEMBL24722194 | 0.68 | MEN1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL20337125 | 0.67 | TACR1 (0.48) | TACR1GPBAR1HDAC8 |
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 |