Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7467304 | 0.89 | FDPS (0.57) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL9745831 | 0.89 | ALDH1A1 (0.59) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL9719099 | 0.88 | ALDH1A1 (0.68) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL2649949 | 0.88 | ALDH1A1 (0.64) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL11765947 | 0.87 | ALDH1A1 (0.63) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL9153088 | 0.87 | ALDH1A1 (0.67) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL31359168 | 0.86 | ALDH1A1 (0.66) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL15565623 | 0.85 | ALDH1A1 (0.61) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL31139235 | 0.85 | ALDH1A1 (0.61) | ALDH1A1MAPK1HTTMEN1KMT2A | |
| SCHEMBL14835707 | 0.84 | ALDH1A1 (0.68) | ALDH1A1MAPK1HTTMEN1KMT2A |
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-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |