Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 5/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.52 |
| ▸ | RELA | Q04206 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | STAT1 | P42224 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2567016 | 0.82 | TSHR (0.52) | ALDH1A1KDM4EHSD17B10TSHRMEN1 | |
| SCHEMBL21056853 | 0.80 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E | |
| SCHEMBL28296099 | 0.80 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E | |
| SCHEMBL2649244 | 0.78 | PDE3B (0.49) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E | |
| SCHEMBL28644344 | 0.78 | TSHR (0.54) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E | |
| SCHEMBL3961573 | 0.77 | KMT2A (0.48) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E | |
| SCHEMBL1521876 | 0.77 | KMT2A (0.48) | ALDH1A1NPC1KDM4EHSD17B10TP53 | |
| SCHEMBL7009190 | 0.77 | KMT2A (0.67) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E | |
| SCHEMBL2648733 | 0.77 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E | |
| SCHEMBL5091522 | 0.77 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2RAB9ANPC1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6333336-B1 | GAMMA-AMINOBUTYRIC ACID RECEPTORS AS ANTICONVULSANTS FORMING THE COMPOUND BY AMIDATION | MERCK SHARP & DOHME LTD. (GB) | 2001-12-25 | — | — | US | disclosed |
| EP-1064283-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2001-01-03 | — | — | EP | disclosed |
| WO-1999048892-A1 | PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-30 | — | — | WO | disclosed |