Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 5/20 | 0.51 |
| ▸ | HTR7 | P34969 | 5/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.40 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16825654 | 0.78 | HRH2 (0.56) | KDM4ESMN1; SMN2HTR1AHTR7LTA4H | |
| SCHEMBL21674200 | 0.78 | LTA4H (0.65) | KDM4EHTR1AHTR7LTA4HPTGS2 | |
| SCHEMBL16825826 | 0.74 | KDM4E (0.56) | KDM4ESMN1; SMN2LTA4HPTGS2RAB9A | |
| SCHEMBL17838456 | 0.74 | KDM4E (0.56) | KDM4ESMN1; SMN2HTR1AHTR7LTA4H | |
| SCHEMBL229697 | 0.71 | LTA4H (0.90) | KDM4ELTA4HPTGS2TSHRATM | |
| SCHEMBL16826290 | 0.70 | CHIA (0.54) | KDM4ESMN1; SMN2HTR1AHTR7LTA4H | |
| SCHEMBL5116881 | 0.69 | LTA4H (0.87) | KDM4ELTA4HPTGS2TSHRATM | |
| SCHEMBL227976 | 0.69 | LTA4H (0.87) | KDM4ELTA4HPTGS2ATML3MBTL1 | |
| SCHEMBL227425 | 0.69 | LTA4H (0.87) | KDM4ELTA4HPTGS2ATML3MBTL1 | |
| SCHEMBL19025236 | 0.69 | LTA4H (0.65) | KDM4ESMN1; SMN2HTR1AHTR7LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-3082805-B1 | SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME | INST FOR DRUG DISCOVERY LLC (US) | 2020-02-05 | — | — | EP | disclosed |