Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4780703 | 0.89 | CYP2A13 (0.42) | CYP2A13KDM4EKMT2AMEN1CNR1 | |
| SCHEMBL4706868 | 0.88 | CYP2A13 (0.43) | CYP2A13KDM4EKMT2AMEN1CNR1 | |
| SCHEMBL4775242 | 0.88 | CYP2A13 (0.43) | CYP2A13KDM4EKMT2AMEN1CNR1 | |
| SCHEMBL4780859 | 0.87 | KMT2A (0.44) | CYP2A13KDM4EKMT2AMEN1CNR1 | |
| SCHEMBL4779350 | 0.87 | CYP2A13 (0.42) | CYP2A13KDM4EKMT2AMEN1CNR1 | |
| Trifluoroacetic Acid SCHEMBL4708162 | 0.86 | CYP2A13 (0.41) | CYP2A13KDM4EKMT2AMEN1CNR1 | |
| SCHEMBL4706829 | 0.85 | KMT2A (0.41) | CYP2A13KDM4EKMT2AMEN1CNR1 | |
| SCHEMBL4708166 | 0.84 | KMT2A (0.40) | CYP2A13KDM4EKMT2AMEN1CNR1 | |
| SCHEMBL4780556 | 0.83 | KDM4E (0.46) | CYP2A13KDM4ECNR1CNR2SMN1; SMN2 | |
| SCHEMBL4779504 | 0.83 | KMT2A (0.40) | CYP2A13KDM4EKMT2AMEN1CNR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008000818-A1 | FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR | BRANE DISCOVERY S.R.L. (IT) | 2008-01-03 | — | — | WO | claimed |
| WO-2008000818-A1 | FLUORINATED INDOLEAMIDES USEFUL AS LIGANDS OF THE ORL-1 RECEPTOR | BRANE DISCOVERY S.R.L. (IT) | 2008-01-03 | — | — | WO | disclosed |