Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.62 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.62 |
| ▸ | NPC1 | O15118 | 6/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | GFER | P55789 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | MMP2 | P08253 | 3/20 | 0.57 |
| ▸ | MMP9 | P14780 | 3/20 | 0.57 |
| ▸ | MMP8 | P22894 | 3/20 | 0.57 |
| ▸ | MMP13 | P45452 | 3/20 | 0.57 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.56 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13599850 | 0.85 | NPC1 (0.81) | ALOX5EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13183701 | 0.84 | NPC1 (0.78) | ALOX5EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24075329 | 0.82 | KDM4E (0.68) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL20677813 | 0.82 | NPC1 (0.75) | ALOX5EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21976216 | 0.81 | ALOX5 (0.65) | ALOX5EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14665476 | 0.81 | NPC1 (0.75) | ALOX5EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25722402 | 0.80 | ALDH1A1 (0.69) | ALOX5EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6124301 | 0.80 | NPC1 (0.71) | ALOX5EPHX2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3336689 | 0.80 | NPC1 (0.68) | EPHX2NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL21023423 | 0.79 | NPC1 (0.68) | ALOX5EPHX2NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3294715-B1 | BENZIMIDAZOLE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN HISTONE DEACETYLASE ACTIVITY | KANCERA AB (SE) | 2020-05-06 | — | — | EP | disclosed |