Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | F10 | P00742 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | REN | P00797 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8638423 | 0.97 | NPC1 (0.66) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| SCHEMBL8640783 | 0.89 | SMN1; SMN2 (0.56) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| SCHEMBL8641864 | 0.86 | SMN1; SMN2 (0.63) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| SCHEMBL8641245 | 0.86 | NPC1 (0.60) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| SCHEMBL8640087 | 0.82 | SMN1; SMN2 (0.68) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| SCHEMBL23975373 | 0.82 | SMN1; SMN2 (0.89) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| SCHEMBL9730574 | 0.81 | NPC1 (0.77) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27444824 | 0.79 | NPC1 (0.46) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| SCHEMBL8641254 | 0.79 | SMN1; SMN2 (0.56) | NPC1PKMEPHX2RAB9ASMN1; SMN2 | |
| SCHEMBL11082930 | 0.78 | HRH2 (0.57) | — |
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-5723492-A | LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use | G.D. SEARLE & CO. (US) | 1998-03-03 | — | — | US | disclosed |
| US-5719306-A | ANTIINFLAMMATORY AGENTS | G.D. SEARLE & CO. (US) | 1998-02-17 | — | — | US | disclosed |