Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.30 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2095743 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10CYP3A4RECQL | |
| SCHEMBL2095745 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRHSD17B10CYP3A4RECQL | |
| SCHEMBL8258388 | 0.72 | BDKRB2 (0.39) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL97308 | 0.72 | ALDH1A1 (0.35) | ALDH1A1TSHRHSD17B10CYP3A4RECQL | |
| SCHEMBL97309 | 0.72 | ERN1 (0.36) | ALDH1A1TSHRHSD17B10CYP3A4RECQL | |
| SCHEMBL29074259 | 0.71 | ALDH1A1 (0.50) | ALDH1A1TSHRHSD17B10CYP3A4RECQL | |
| SCHEMBL1589735 | 0.69 | ALDH1A1 (0.47) | ALDH1A1TSHRHSD17B10CYP3A4RECQL | |
| SCHEMBL6298851 | 0.69 | CA1 (0.38) | ALDH1A1TSHRHSD17B10CYP3A4RECQL | |
| SCHEMBL14972294 | 0.69 | ALDH1A1 (0.36) | ALDH1A1TSHRHSD17B10CYP3A4RECQL | |
| SCHEMBL15996542 | 0.68 | TDP1 (0.40) | ALDH1A1TSHRKDM4EPOLBCASP1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682506-B1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMA (US) | 2009-12-30 | — | — | EP | claimed |
| EP-1682506-A1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-07-26 | — | — | EP | claimed |
| WO-2005044799-A1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-05-19 | — | — | WO | claimed |
| EP-1682506-B1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMA (US) | 2009-12-30 | — | — | EP | disclosed |
| EP-1682506-A1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005044799-A1 | DIPEPTIDE-ANALOGUE SYNTHESIS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-05-19 | — | — | WO | disclosed |