Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13144230 | 0.78 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL7949047 | 0.77 | KDM4E (0.41) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL2220351 | 0.76 | PTGS1 (0.46) | ALDH1A1LMNAKDM4EMAPTPTGS1 | |
| SCHEMBL2217253 | 0.73 | PTGS1 (0.59) | ALDH1A1SMN1; SMN2KDM4ERAB9AMAPT | |
| SCHEMBL12514946 | 0.72 | KDM4E (0.41) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL28570789 | 0.70 | HSP90AA1 (0.47) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL3083984 | 0.69 | ALDH1A1 (0.42) | ALDH1A1LMNAKDM4EMAPTNPSR1 | |
| SCHEMBL13456146 | 0.69 | KDM4E (0.47) | ALDH1A1LMNASMN1; SMN2KDM4ENPC1 | |
| SCHEMBL22519132 | 0.69 | KDM4E (0.55) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL870880 | 0.69 | ALDH1A1 (0.55) | ALDH1A1LMNASMN1; SMN2KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009154300-A2 | HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-12-23 | — | — | WO | disclosed |