Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 9/20 | 0.50 |
| ▸ | NPC1 | O15118 | 8/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.49 |
| ▸ | KLF5 | Q13887 | 2/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779893 | 0.78 | LMNA (0.59) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8779899 | 0.78 | LMNA (0.59) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL8779898 | 0.78 | LMNA (0.59) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL5133337 | 0.77 | LMNA (0.53) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL11989038 | 0.77 | ALDH1A1 (0.61) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7340481 | 0.76 | MPO (0.51) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7301661 | 0.75 | LMNA (0.62) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL29776932 | 0.74 | CYP3A4 (1.00) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL707208 | 0.74 | CYP3A4 (1.00) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL18634235 | 0.74 | LMNA (0.53) | CYP3A4LMNARAB9ANPC1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0337714-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | claimed |
| EP-0337714-A2 | HIV protease inhibitors useful for the treatment of aids | MERCK & CO. INC. (US) | 1989-10-18 | — | — | EP | disclosed |