Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7832388 | 0.84 | CRHBP (0.44) | GSK3BSMN1; SMN2NPC1RAB9ALMNA | |
| SCHEMBL4677165 | 0.74 | DAO (0.44) | MEN1KMT2ANPC1RAB9ATAS2R14 | |
| SCHEMBL754372 | 0.73 | ALDH1A1 (0.45) | ALDH1A1GSK3BSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7818151 | 0.72 | GSK3B (0.44) | ALDH1A1GSK3BSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7818275 | 0.71 | HDAC4 (0.45) | ALDH1A1GSK3BMEN1KMT2ANPC1 | |
| SCHEMBL7828343 | 0.70 | GSK3B (0.42) | ALDH1A1GSK3BSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7081312 | 0.70 | MAOB (0.54) | ALDH1A1GSK3BSMN1; SMN2MEN1KMT2A | |
| SCHEMBL13992634 | 0.68 | NPC1 (0.75) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL6078000 | 0.68 | LMNA (0.55) | ALDH1A1RIPK1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6353625 | 0.67 | HDAC3 (0.47) | ALDH1A1SMN1; SMN2MEN1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1086091-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2001-10-10 | — | — | EP | disclosed |
| US-6262055-B1 | SULFUR-CONTAINING HETEROARYL DIOXO-BUTYRIC ACID DERIVATIVES | MERCK & CO., INC. | 2001-07-17 | — | — | US | disclosed |
| EP-1086091-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062897-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |