Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | THPO | P40225 | 1/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6953302 | 1.00 | NPC1 (0.56) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL6956232 | 0.89 | GAA (0.57) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL6956231 | 0.89 | GAA (0.57) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL6953875 | 0.77 | SMN1; SMN2 (0.51) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL6953879 | 0.77 | SMN1; SMN2 (0.51) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL6959889 | 0.75 | NPC1 (0.49) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL6959884 | 0.75 | NPC1 (0.49) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL6964880 | 0.73 | KDM1A (0.47) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL1321656 | 0.72 | ALDH1A1 (1.00) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4249912 | 0.71 | ALDH1A1 (0.97) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 |
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-0540143-B1 | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB (SE) | 2003-02-05 | — | — | EP | disclosed |
| US-5714503-A | Compounds and methods for inhibition of HIV and related viruses | MEDIVIR AB (SE) | 1998-02-03 | — | — | US | disclosed |
| US-5658907-A | THIOUREA VIRICIDES | MEDIVIR A/B (SE) | 1997-08-19 | — | — | US | disclosed |
| EP-0540143-A2 | Compounds and methods for inhibition of HIV and related viruses | Medivir Aktiebolag (SE) | 1993-05-05 | — | — | EP | disclosed |