Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8616318 | 0.93 | BACE1 (0.41) | BACE1ALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL8613368 | 0.88 | CDK9 (0.38) | BACE1ALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL8614352 | 0.88 | PDE10A (0.43) | ALDH1A1KMT2ASMN1; SMN2MEN1IDO1 | |
| SCHEMBL8616478 | 0.82 | PDE10A (0.39) | BACE1ALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL8615331 | 0.82 | ALDH1A1 (0.41) | ALDH1A1KMT2AMEN1TP53RAB9A | |
| SCHEMBL8617718 | 0.81 | PDE10A (0.56) | ALDH1A1SMN1; SMN2PDE10AMAPK1HTT | |
| SCHEMBL8613234 | 0.81 | CDK9 (0.38) | BACE1ALDH1A1KMT2ASMN1; SMN2MEN1 | |
| SCHEMBL8619728 | 0.81 | KEAP1 (0.43) | ALDH1A1HTTNPSR1LMNAHPGD | |
| SCHEMBL8614881 | 0.80 | TDO2 (0.43) | ALDH1A1KMT2ASMN1; SMN2MEN1IDO1 | |
| SCHEMBL8614038 | 0.80 | PDE10A (0.39) | BACE1ALDH1A1KMT2ASMN1; SMN2MEN1 |
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-0726254-B1 | Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds | MITSUI TOATSU CHEMICALS (JP) | 1998-05-06 | — | — | EP | disclosed |
| EP-0726254-A1 | Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-08-14 | — | — | EP | disclosed |