Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 11/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.37 |
| ▸ | THRA | P10827 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6901026 | 0.83 | S1PR1 (0.46) | S1PR1CTSSCTSK | |
| SCHEMBL16358672 | 0.82 | S1PR1 (0.40) | S1PR1S1PR4THRATHRBRXRA | |
| SCHEMBL3451748 | 0.81 | RXRA (0.50) | KDM4ES1PR1HTR2AHTR2CESR1 | |
| SCHEMBL16302614 | 0.81 | ALDH1A1 (0.44) | KDM4ES1PR1THRBRXRARXRB | |
| Water SCHEMBL27797208 | 0.81 | CTSS (0.51) | S1PR1S1PR4THRATHRBCTSS | |
| SCHEMBL2146473 | 0.80 | S1PR4 (0.51) | KDM4ES1PR1HTR2AHTR2CS1PR4 | |
| SCHEMBL16358671 | 0.80 | S1PR1 (0.38) | S1PR1S1PR4THRATHRBRXRA | |
| SCHEMBL13390260 | 0.79 | RXRA (0.50) | S1PR1HTR2ARXRARXRBRXRG | |
| SCHEMBL20372428 | 0.78 | PPARD (0.42) | S1PR1HTR2CS1PR4RXRARXRB | |
| SCHEMBL16302578 | 0.77 | AAK1 (0.36) | KDM4ES1PR1S1PR4THRBRXRA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011086125-A1 | 1H-[1,2,3]TRIAZOLO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES | N.V. ORGANON (NL) | 2011-07-21 | — | — | WO | disclosed |