Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.59 |
| ▸ | UQCRB | P14927 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | RORA | P35398 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL812679 | 0.81 | ALDH1A1 (0.83) | ALDH1A1UQCRBMEN1MAPTKMT2A | |
| SCHEMBL3934185 | 0.78 | KEAP1 (0.62) | ALDH1A1MEN1MAPTKMT2ACA1 | |
| SCHEMBL12042475 | 0.77 | ALDH1A1 (0.71) | ALDH1A1UQCRBMEN1MAPTKMT2A | |
| SCHEMBL13433558 | 0.76 | ALDH1A1 (0.73) | ALDH1A1UQCRBMEN1MAPTKMT2A | |
| SCHEMBL30014158 | 0.76 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL1040954 | 0.76 | ALDH1A1 (0.73) | ALDH1A1UQCRBMEN1MAPTKMT2A | |
| SCHEMBL7178237 | 0.74 | UQCRB (1.00) | ALDH1A1UQCRBMEN1MAPTKMT2A | |
| SCHEMBL20657557 | 0.74 | KMT2A (1.00) | ALDH1A1UQCRBMEN1MAPTKMT2A | |
| SCHEMBL12042479 | 0.74 | ALDH1A1 (0.76) | ALDH1A1UQCRBMEN1MAPTKMT2A | |
| SCHEMBL95623 | 0.74 | ALDH1A1 (0.71) | ALDH1A1UQCRBMEN1MAPTKMT2A |
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-2220065-A2 | MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009017719-A2 | MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2009-02-05 | — | — | WO | disclosed |