Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14898280 | 0.80 | LMNA (0.49) | PTPN1ALOX5MAPTGAALMNA | |
| SCHEMBL6154598 | 0.75 | HSD11B1 (0.44) | HSD11B1LMNAALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL6401663 | 0.74 | HSD11B1 (0.57) | HSD11B1MAPTLMNAALDH1A1NPSR1 | |
| SCHEMBL876064 | 0.72 | PTPN1 (0.49) | PTPN1LMNAALDH1A1KMT2ATSHR | |
| SCHEMBL4876996 | 0.69 | LMNA (0.48) | MAPTGAALMNAALDH1A1NPSR1 | |
| SCHEMBL611180 | 0.69 | PTPN1 (0.45) | PTPN1MAPTALDH1A1KMT2ATSHR | |
| SCHEMBL4872329 | 0.68 | LMNA (0.41) | HTTMAPTGAALMNAALDH1A1 | |
| SCHEMBL3611806 | 0.68 | ESR1 (0.54) | HSD11B1MAPTLMNAALDH1A1KMT2A | |
| SCHEMBL20138852 | 0.67 | KMT2A (0.49) | HSD11B1HTTMAPTLMNAALDH1A1 | |
| SCHEMBL1470467 | 0.67 | CA12 (0.53) | ALOX5HTTMAPTGAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569646-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| EP-1499603-A1 | ANTIVIRAL LACTONE-UREAS | Bayer Aktiengesellschaft (DE) | 2005-01-26 | — | — | EP | disclosed |
| WO-2004054974-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |
| WO-2003089421-A1 | ANTIVIRAL LACTONE-UREAS | BAYER HEALTHCARE AG (DE) | 2003-10-30 | — | — | WO | disclosed |