Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.37 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 2/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649983 | 0.80 | MGAM (0.40) | HCAR2NAPRTMGAMHCAR3P4HA1 | |
| SCHEMBL16616328 | 0.80 | MGAM (0.40) | HCAR2NAPRTMGAMHCAR3P4HA1 | |
| SCHEMBL1424865 | 0.77 | STAT3 (0.35) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29365646 | 0.75 | HCAR2 (0.50) | HCAR2NAPRTTTRTSHRMGAM | |
| SCHEMBL232290 | 0.75 | HCAR2 (0.50) | HCAR2NAPRTTTRTSHRMGAM | |
| SCHEMBL25396560 | 0.75 | RORC (0.36) | ALDH1A1KDM4EPOLBMEN1LMNA | |
| SCHEMBL199221 | 0.73 | TTR (0.54) | HCAR2NAPRTTTRTSHRMGAM | |
| Hydrochloric Acid SCHEMBL7476482 | 0.73 | HCAR2 (0.48) | HCAR2NAPRTTTRTSHRMGAM | |
| SCHEMBL3650453 | 0.73 | HCAR2 (0.48) | HCAR2NAPRTTTRTSHRMGAM | |
| SCHEMBL30821436 | 0.73 | PDXK (0.36) | TTRHSD17B10HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101522670-B | Pyridin-3-yl derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD | 2012-05-23 | — | — | CN | disclosed |
| EP-2195311-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd. (CH) | 2010-06-16 | — | — | EP | disclosed |
| CN-101522670-A | Pyridin-3-yl derivatives as immunomodulators | ACTELION PHARMACEUTICALS LTD (CH) | 2009-09-02 | — | — | CN | disclosed |
| WO-2009024905-A1 | PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-26 | — | — | WO | disclosed |