Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | TACR3 | P29371 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ELANE | P08246 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL6556065 | 0.90 | NPC1 (0.53) | ALDH1A1KDM4ESMN1; SMN2TACR3NPC1 | |
| SCHEMBL7276750 | 0.88 | RAB9A (0.48) | ALDH1A1GAANPC1RAB9AELANE | |
| SCHEMBL7276640 | 0.81 | MGLL (0.46) | ALDH1A1KDM4ESMN1; SMN2TACR3NPC1 | |
| SCHEMBL4416727 | 0.78 | NPC1 (0.62) | ALDH1A1SMN1; SMN2NPC1RAB9AMMP1 | |
| SCHEMBL1330921 | 0.77 | CASP3 (0.51) | SMN1; SMN2NPC1RAB9AELANEPTPN1 | |
| SCHEMBL7342183 | 0.76 | NPC1 (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9AMMP1 | |
| SCHEMBL5113764 | 0.75 | NPC1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9AELANE | |
| SCHEMBL1223807 | 0.75 | RAB9A (0.67) | ALDH1A1GAASMN1; SMN2NPC1RAB9A | |
| SCHEMBL8401148 | 0.75 | TACR3 (0.46) | ALDH1A1KDM4ESMN1; SMN2TACR3NPC1 | |
| SCHEMBL11261916 | 0.75 | KDM4E (0.57) | ALDH1A1KDM4EGAASMN1; SMN2RXFP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0509769-B1 | Heterocyclic amides having HLE inhibiting activity | ZENECA LTD (GB) | 1996-09-11 | — | — | EP | disclosed |
| US-5521179-A | Heterocyclic amides | ZENECA LIMITED (GB) | 1996-05-28 | — | — | US | disclosed |
| EP-0509769-A2 | Heterocyclic amides having HLE inhibiting activity | ZENECA LIMITED (GB) | 1992-10-21 | — | — | EP | disclosed |