Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14640342 | 0.84 | FAAH (0.33) | — | |
| SCHEMBL14640340 | 0.84 | HDAC3 (0.45) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9971628 | 0.83 | ALDH1A1 (0.38) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3293973 | 0.77 | LMNA (0.40) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL3293978 | 0.77 | LMNA (0.40) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL14640208 | 0.72 | HSD17B10 (0.43) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL26169637 | 0.71 | EPHX2 (0.40) | HDAC6LMNAMEN1KMT2AEPHX2 | |
| SCHEMBL4064544 | 0.71 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL13295059 | 0.70 | LMNA (0.42) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL18056880 | 0.69 | MEN1 (0.38) | ALDH1A1LMNAHPGDSMN1; SMN2MEN1 |
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-7169907-B2 | Derivatives, immunogens, and antibodies for detecting ecstasy-class drugs | ROCHE DIAGNOSTICS OPERATIONS, INC. (US) | 2007-01-30 | — | — | US | disclosed |