Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 10/20 | 0.57 |
| ▸ | NPC1 | O15118 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15913657 | 0.88 | S1PR1 (0.48) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14153797 | 0.86 | S1PR1 (0.43) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14153213 | 0.86 | RAB9A (0.49) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14153100 | 0.82 | S1PR1 (0.62) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14153246 | 0.81 | S1PR1 (0.61) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14153146 | 0.81 | S1PR1 (0.61) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14153212 | 0.80 | TSHR (0.53) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14059920 | 0.80 | NPC1 (0.41) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL14153110 | 0.79 | S1PR1 (0.40) | S1PR1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL19090054 | 0.79 | S1PR1 (0.66) | S1PR1NPC1RAB9AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012162635-A1 | METABOTROPIC GLUTAMATE RECEPTORS 5 MODULATORS AND METHODS OF USE THEREOF | SUNOVION PHARMACEUTICALS INC. (US) | 2012-11-29 | — | — | WO | disclosed |