Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL532946 | 0.84 | KCNQ2 (0.53) | ALDH1A1KMT2AMAPTMEN1KDM4E | |
| SCHEMBL532988 | 0.80 | ALDH1A1 (0.42) | ALDH1A1KMT2AKDM4EPOLBHPGD | |
| SCHEMBL533164 | 0.78 | PTGES2 (0.39) | KMT2AMEN1POLB | |
| SCHEMBL532776 | 0.77 | FFAR4 (0.54) | ALDH1A1KMT2AMAPTMEN1POLB | |
| SCHEMBL532980 | 0.73 | JAK2 (0.48) | ALDH1A1KMT2AMAPTMEN1KDM4E | |
| SCHEMBL533170 | 0.73 | S100A9 (0.43) | KCNQ2 | |
| SCHEMBL534077 | 0.73 | TSHR (0.47) | ALDH1A1KMT2AMAPTMEN1POLB | |
| SCHEMBL533059 | 0.72 | MEN1 (0.55) | ALDH1A1KMT2AMAPTMEN1KDM4E | |
| SCHEMBL533006 | 0.72 | HTR6 (0.43) | ALDH1A1KMT2AMAPTMEN1KDM4E | |
| SCHEMBL533083 | 0.71 | EDNRA (0.46) | ALDH1A1MAPTPOLBSMN1; SMN2 |
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-2415760-A2 | CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2012-02-08 | — | — | EP | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |