Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.41 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2800444 | 0.77 | ALDH1A1 (0.44) | TSHRSMN1; SMN2ALDH1A1CYP2C19L3MBTL1 | |
| SCHEMBL3779648 | 0.71 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1USP2HPGDLMNA | |
| SCHEMBL2797107 | 0.71 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1USP2HPGDLMNA | |
| SCHEMBL2796641 | 0.70 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1CYP2C19USP2HPGD | |
| SCHEMBL2937839 | 0.69 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1HPGDLMNATP53 | |
| SCHEMBL21788826 | 0.68 | TACR1 (0.44) | FAAH | |
| SCHEMBL9120468 | 0.67 | KDM4E (0.56) | TSHRSMN1; SMN2ALDH1A1HPGDMAPT | |
| Hydrochloric Acid SCHEMBL695050 | 0.66 | POLB (0.50) | TSHRSMN1; SMN2ALDH1A1CYP2C19L3MBTL1 | |
| SCHEMBL12837390 | 0.66 | FFAR1 (0.39) | LTA4HHSD17B10 | |
| SCHEMBL17468447 | 0.65 | ALDH1A1 (0.63) | SMN1; SMN2ALDH1A1CYP2C19HPGDLMNA |
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-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |