Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20535766 | 0.81 | L3MBTL1 (0.40) | ALDH1A1LMNATSHRHSD17B10POLB | |
| SCHEMBL16586411 | 0.79 | LMNA (0.42) | ALDH1A1LMNATSHRKDM4EHSD17B10 | |
| SCHEMBL8203980 | 0.71 | TSHR (0.44) | ALDH1A1LMNATSHRKDM4EHSD17B10 | |
| SCHEMBL15212936 | 0.71 | HSD17B10 (0.43) | ALDH1A1LMNATSHRKDM4EHSD17B10 | |
| SCHEMBL8192515 | 0.70 | TSHR (0.43) | ALDH1A1LMNATSHRHSD17B10CYP3A4 | |
| SCHEMBL28114268 | 0.69 | NAAA (0.60) | ALDH1A1TSHRS1PR4S1PR1S1PR3 | |
| SCHEMBL28113848 | 0.69 | NAAA (0.60) | ALDH1A1TSHRS1PR4S1PR1S1PR3 | |
| SCHEMBL27592827 | 0.68 | SMN1; SMN2 (0.53) | ALDH1A1LMNATSHRKDM4EHSD17B10 | |
| SCHEMBL27592806 | 0.68 | SMN1; SMN2 (0.53) | ALDH1A1LMNATSHRKDM4EHSD17B10 | |
| SCHEMBL28120960 | 0.68 | ALOX12 (0.51) | ALDH1A1LMNATSHRKDM4EHSD17B10 |
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 |