Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1419617 | 0.83 | MAPK1 (0.54) | ALDH1A1LMNASMN1; SMN2TSHRHTT | |
| SCHEMBL27263579 | 0.82 | SLC1A5 (0.42) | ALDH1A1LMNASMN1; SMN2TSHRMAPK1 | |
| SCHEMBL8602983 | 0.81 | LMNA (0.74) | ALDH1A1LMNASMN1; SMN2TSHRHTT | |
| SCHEMBL2533532 | 0.81 | HPGD (0.57) | ALDH1A1LMNASMN1; SMN2TSHRMAPK1 | |
| SCHEMBL2540830 | 0.80 | HPGD (0.55) | ALDH1A1LMNASMN1; SMN2TSHRHTT | |
| SCHEMBL359677 | 0.79 | SMN1; SMN2 (0.48) | ALDH1A1LMNASMN1; SMN2HTTMAPK1 | |
| SCHEMBL4800127 | 0.78 | RAB9A (0.59) | ALDH1A1LMNASMN1; SMN2MAPK1L3MBTL1 | |
| SCHEMBL7015447 | 0.77 | RAB9A (0.54) | ALDH1A1LMNASMN1; SMN2TSHRHTT | |
| SCHEMBL19748921 | 0.77 | HDAC1 (0.43) | ALDH1A1LMNASMN1; SMN2TSHRHTT | |
| SCHEMBL7020328 | 0.77 | TRPV1 (0.45) | ALDH1A1LMNASMN1; SMN2TSHRMAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017223514-A9 | LXR INVERSE AGONISTS FOR TREATMENT OF CANCER | SAINT LOUIS UNIVERSITY (US) | 2018-04-12 | — | — | WO | claimed |
| WO-2017223514-A1 | LXR INVERSE AGONISTS FOR TREATMENT OF CANCER | SAINT LOUIS UNIVERSITY (US) | 2017-12-28 | — | — | WO | claimed |
| EP-0889034-B1 | AMINOPYRIDINE DERIVATIVES | BANYU PHARMA CO LTD (JP) | 2003-09-17 | — | — | EP | disclosed |
| US-6011039-A | USEFUL AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; TREATING HYPERPHAGIA, OBESITY OR DIABETES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-01-04 | — | — | US | disclosed |
| EP-0889034-A1 | AMINOPYRIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-01-07 | — | — | EP | disclosed |