Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL8876300 | 0.99 | GLA (0.41) | ALDH1A1CYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL8877780 | 0.95 | KMT2A (0.41) | ALDH1A1CYP3A4MAPTCYP2C9CYP2C19 | |
| SCHEMBL8877274 | 0.89 | MAPT (0.45) | ALDH1A1MAPTTSHRKMT2AMEN1 | |
| SCHEMBL8875769 | 0.88 | ALDH1A1 (0.44) | ALDH1A1MAPTTSHRKMT2AMEN1 | |
| Cyclopentane SCHEMBL7071125 | 0.87 | PLD1 (0.41) | TSHRKMT2ASIGMAR1MEN1 | |
| Cyclopropane SCHEMBL7076457 | 0.87 | PLD1 (0.41) | TSHRKMT2ASIGMAR1MEN1 | |
| Cyclohexane SCHEMBL7073239 | 0.87 | PLD1 (0.41) | TSHRKMT2ASIGMAR1MEN1 | |
| SCHEMBL7781108 | 0.83 | PLD1 (0.53) | — | |
| SCHEMBL7774077 | 0.81 | PLD1 (0.53) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8876709 | 0.79 | EPHX2 (0.41) | LMNA |
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-5616705-A | N-substituted azabicycloheptane derivatives, their preparation and use | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-01 | — | — | US | disclosed |