Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 16/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 16/20 | 0.62 |
| ▸ | GAA | P10253 | 14/20 | 0.62 |
| ▸ | GFER | P55789 | 5/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.62 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.62 |
| ▸ | GSK3A | P49840 | 1/20 | 0.62 |
| ▸ | GSK3B | P49841 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | MAP2 | P11137 | 2/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8938502 | 0.81 | KDM4E (0.50) | MEN1KMT2AGAAGFERCDK5 | |
| SCHEMBL4342185 | 0.80 | GRIN1 (0.66) | MEN1KMT2AGAAGFERALDH1A1 | |
| SCHEMBL8938275 | 0.79 | MEN1 (0.67) | MEN1KMT2AGAAGFERCDK5 | |
| SCHEMBL8938292 | 0.78 | BRD4 (0.44) | MEN1KMT2AGAAALDH1A1MAPT | |
| SCHEMBL8687789 | 0.78 | MAP2 (0.59) | ALDH1A1MAPTKDM4EMAP2HPGD | |
| SCHEMBL9816481 | 0.77 | MEN1 (0.79) | MEN1KMT2AGAAGFERCDK5 | |
| Guanidine SCHEMBL8688457 | 0.75 | TUBB4A (0.55) | MEN1KMT2AGAAALDH1A1MAPT | |
| SCHEMBL8938279 | 0.74 | MEN1 (0.48) | MEN1KMT2AGAAGFERCDK5 | |
| SCHEMBL6950268 | 0.74 | HTT (0.60) | MEN1KMT2AGAAGFERALDH1A1 | |
| SCHEMBL8938265 | 0.73 | TUBB4A (0.62) | ALDH1A1MAPTKDM4EMAP2POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5527819-A | TREATING AIDS | MERCK & CO., INC. (US) | 1996-06-18 | — | — | US | disclosed |
| EP-0686148-A4 | INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO INC (US) | 1996-02-07 | — | — | EP | disclosed |
| EP-0686148-A1 | INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO. INC. (US) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019321-A1 | INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1994-09-01 | — | — | WO | disclosed |