Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | QSOX1 | O00391 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL532941 | 0.88 | MAPT (0.51) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL533054 | 0.88 | MAPT (0.45) | ALDH1A1KDM4EGFERSMN1; SMN2MEN1 | |
| SCHEMBL533966 | 0.87 | POLB (0.44) | ALDH1A1KDM4ESMN1; SMN2NPSR1MEN1 | |
| SCHEMBL532849 | 0.87 | SMN1; SMN2 (0.49) | ALDH1A1KDM4ESMN1; SMN2HSD17B10MEN1 | |
| SCHEMBL533539 | 0.86 | RAB9A (0.47) | ALDH1A1SMN1; SMN2MEN1KMT2AGAA | |
| SCHEMBL532034 | 0.86 | NPC1 (0.57) | ALDH1A1KDM4ECNR1MEN1KMT2A | |
| SCHEMBL534049 | 0.85 | SCN9A (0.47) | ALDH1A1KDM4EGFERSMN1; SMN2MEN1 | |
| SCHEMBL532995 | 0.82 | NPC1 (0.54) | ALDH1A1KDM4ECNR1SMN1; SMN2MEN1 | |
| SCHEMBL532967 | 0.81 | RAB9A (0.57) | ALDH1A1KDM4ESMN1; SMN2NPSR1MEN1 | |
| SCHEMBL532794 | 0.81 | POLB (0.45) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A |
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 5 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 |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| WO-2004073634-A2 | PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS | ENCYSIVE PHARMACEUTICALS INC. (US) | 2004-09-02 | — | — | WO | disclosed |