Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.37 |
| ▸ | TLR2 | O60603 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16586410 | 0.78 | HPGD (0.45) | HSD17B10HPGDENPP2ALDH1A1TSHR | |
| SCHEMBL16118686 | 0.71 | HSD17B10 (0.49) | HSD17B10HPGDALDH1A1TSHRHDAC6 | |
| SCHEMBL15212938 | 0.71 | ALDH1A1 (0.41) | HSD17B10HPGDALDH1A1TSHRLMNA | |
| SCHEMBL356002 | 0.70 | HSD17B10 (0.56) | HSD17B10HPGDALDH1A1TSHRKDM4E | |
| Water SCHEMBL8818123 | 0.69 | HSD17B10 (0.55) | HSD17B10HPGDALDH1A1TSHRKDM4E | |
| Hydrochloric Acid SCHEMBL10659395 | 0.68 | DGKA (0.55) | HSD17B10HPGDENPP2ALDH1A1LMNA | |
| SCHEMBL14156196 | 0.67 | LMNA (0.50) | HSD17B10HPGDALDH1A1TSHRLMNA | |
| SCHEMBL9694059 | 0.67 | HPGD (0.56) | HSD17B10HPGD | |
| SCHEMBL9695155 | 0.67 | HPGD (0.56) | HSD17B10HPGD | |
| SCHEMBL9695556 | 0.67 | HPGD (0.56) | HSD17B10HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013126745-A2 | LIGANDS DESIGNED TO PROVIDE HIGHLY ACTIVE CATALYST COMPLEXES | CARNEGIE MELLON UNIVERSITY (US) | 2013-08-29 | — | — | WO | disclosed |