Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.54 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | PTPRA | P18433 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7909117 | 0.87 | NPC1 (0.58) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL5288034 | 0.83 | NPC1 (0.53) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL1627274 | 0.83 | NPC1 (0.53) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL11099516 | 0.83 | NPC1 (0.53) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL3112570 | 0.77 | NPC1 (0.61) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL31614347 | 0.77 | NPC1 (0.61) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL28737938 | 0.76 | NPC1 (0.56) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL11360212 | 0.76 | NPC1 (0.47) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| Water SCHEMBL21626175 | 0.76 | NPC1 (0.59) | RAB9ANPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL5535419 | 0.75 | MAPT (0.63) | RAB9ANPC1MAPTSMN1; SMN2TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7576198-B1 | Integrase inhibitors containing aromatic heterocycle derivatives | SHIONOGI & CO., LTD. (JP) | 2009-08-18 | — | — | US | disclosed |
| EP-1219607-A1 | INTEGRASE INHIBITORS CONTAINING AROMATIC HETEROCYCLE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2002-07-03 | — | — | EP | disclosed |