Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 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 | |
|---|---|---|---|---|
| SCHEMBL7204805 | 1.00 | ALDH1A1 (0.45) | ALDH1A1TP53CNR1CNR2TSHR | |
| SCHEMBL4804923 | 0.89 | LSS (0.47) | ALDH1A1TP53TSHRKMT2AMEN1 | |
| SCHEMBL4804913 | 0.89 | LSS (0.47) | ALDH1A1TP53TSHRKMT2AMEN1 | |
| SCHEMBL7211229 | 0.87 | SMN1; SMN2 (0.43) | CNR1CNR2RAB9A | |
| SCHEMBL7211231 | 0.87 | SMN1; SMN2 (0.43) | CNR1CNR2RAB9A | |
| SCHEMBL7211877 | 0.84 | SMN1; SMN2 (0.44) | ALDH1A1KMT2AMEN1GAANPC1 | |
| SCHEMBL7211880 | 0.84 | SMN1; SMN2 (0.44) | ALDH1A1KMT2AMEN1GAANPC1 | |
| SCHEMBL4808532 | 0.81 | LSS (0.46) | KMT2AMEN1NPSR1 | |
| SCHEMBL4808527 | 0.81 | LSS (0.46) | KMT2AMEN1NPSR1 | |
| SCHEMBL7203236 | 0.80 | LSS (0.43) | TP53TSHRTHRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1311475-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014267-A1 | NOVEL AMINOCYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-21 | — | — | WO | disclosed |