Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | ENPEP | Q07075 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | PLG | P00747 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GSTK1 | Q9Y2Q3 | 2/20 | 0.54 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.52 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | BHMT | Q93088 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL289225 | 1.00 | ALDH1A1 (0.61) | ALDH1A1LMNANFKB1TSHRPMP22 | |
| SCHEMBL10872728 | 1.00 | ALDH1A1 (0.61) | ALDH1A1LMNANFKB1TSHRPMP22 | |
| SCHEMBL500127 | 0.97 | ENPEP (0.61) | ALDH1A1LMNANFKB1TSHRPMP22 | |
| SCHEMBL288439 | 0.90 | — | — | |
| SCHEMBL9438366 | 0.89 | FOLH1 (0.56) | ALDH1A1LMNANFKB1TSHRPMP22 | |
| Dodecanoate SCHEMBL31306299 | 0.89 | FFAR4 (0.69) | ALDH1A1LMNATSHRMEN1ALOX15 | |
| Decanoic Acid SCHEMBL31208552 | 0.89 | FFAR4 (0.69) | ALDH1A1LMNATSHRMEN1ALOX15 | |
| Adipic Acid SCHEMBL10398140 | 0.89 | FFAR4 (0.69) | ALDH1A1LMNATSHRMEN1ALOX15 | |
| Sebacic Acid SCHEMBL2190152 | 0.89 | FFAR4 (0.69) | ALDH1A1LMNATSHRMEN1ALOX15 | |
| Dodecanoate SCHEMBL31306310 | 0.89 | FFAR4 (0.69) | ALDH1A1LMNATSHRMEN1ALOX15 |
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-2427476-A1 | BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY | Polyphor Ag (CH) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127704-A1 | BETA-HAIRPIN PEPTIDOMIMETICS HAVING CXCR4 ANTAGONIZING ACTIVITY | POLYPHOR AG (CH) | 2010-11-11 | — | — | WO | disclosed |