Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.36 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.36 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RBP4 | P02753 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9900037 | 0.76 | HPGD (0.57) | HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2 | |
| SCHEMBL18150315 | 0.76 | KDM1A (0.44) | — | |
| SCHEMBL9942511 | 0.75 | ALDH1A1 (0.51) | HSD17B10ALDH1A1HPGDTSHR | |
| SCHEMBL17686638 | 0.73 | CYP3A4 (0.45) | HSD17B10ALDH1A1HPGDKDM4ELMNA | |
| SCHEMBL16494962 | 0.72 | PTGS1 (0.32) | — | |
| SCHEMBL16494965 | 0.72 | PTGS1 (0.32) | — | |
| SCHEMBL18153356 | 0.71 | SUV39H2 (0.46) | MAPTPOLB | |
| SCHEMBL2002304 | 0.71 | CHRM4 (0.45) | MAPT | |
| SCHEMBL13388349 | 0.70 | HSD17B10 (0.38) | HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2 | |
| SCHEMBL5905803 | 0.70 | CYP8B1 (0.50) | CYP2C19 |
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-2649065-A1 | BICYCLIC COMPOUNDS AS PIM INHIBITORS | Amgen Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078777-A1 | BICYCLIC COMPOUNDS AS PIM INHIBITORS | AMGEN INC. (US) | 2012-06-14 | — | — | WO | disclosed |