Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5442087 | 0.80 | ALDH1A1 (0.47) | ALDH1A1GAALMNACES2CES1 | |
| SCHEMBL6822621 | 0.80 | ALDH1A1 (0.47) | ALDH1A1GAALMNACES2CES1 | |
| SCHEMBL27983586 | 0.79 | CYP3A4 (0.44) | ALDH1A1CES2CES1TDP1HDAC1 | |
| SCHEMBL11050137 | 0.78 | HPGD (0.56) | ALDH1A1GAALMNAHDAC1HDAC6 | |
| SCHEMBL30206846 | 0.77 | ALDH1A1 (0.44) | ALDH1A1GAALMNACES2CES1 | |
| SCHEMBL2221935 | 0.77 | ALDH1A1 (0.52) | ALDH1A1GAALMNACES2CES1 | |
| SCHEMBL180685 | 0.76 | ALDH1A1 (0.56) | ALDH1A1GAALMNACES2CES1 | |
| SCHEMBL8655199 | 0.76 | ALDH1A1 (0.42) | ALDH1A1GAALMNACES2CES1 | |
| SCHEMBL263219 | 0.74 | ALDH1A1 (0.46) | ALDH1A1GAALMNACES2CES1 | |
| SCHEMBL1412844 | 0.74 | ALDH1A1 (0.54) | ALDH1A1GAALMNACES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5723103-A | ALTERED 5-HT-3 OR NEUROTRANSMITTER RECEPTOR FUNCTION | VANDERBILT UNIVERSITY (US) | 1998-03-03 | — | — | US | disclosed |
| WO-1996017630-A9 | SUBSTITUTED BENZAMIDES AND RADIOLIGAND ANALOGS AND METHODS OF USE | — | 1996-08-08 | — | — | WO | disclosed |
| WO-1996017630-A1 | SUBSTITUTED BENZAMIDES AND RADIOLIGAND ANALOGS AND METHODS OF USE | VANDERBILT UNIVERSITY (US) | 1996-06-13 | — | — | WO | disclosed |