Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.43 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | BRAF | P15056 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7989876 | 0.90 | MAPT (0.47) | MAPTSMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL7652080 | 0.89 | DDR1 (0.43) | MAPTSMN1; SMN2MEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL7657621 | 0.88 | DDR1 (0.42) | MAPTSMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL7652898 | 0.87 | KIT (0.49) | DDR1DDR2BRAFKIT | |
| SCHEMBL7656209 | 0.86 | MAPT (0.47) | MAPTSMN1; SMN2ALOX15ALOX12NR4A1 | |
| SCHEMBL7979073 | 0.86 | MAPT (0.61) | MAPTSMN1; SMN2ALOX15ALOX12NR4A1 | |
| SCHEMBL7659357 | 0.86 | MEN1 (0.56) | MAPTSMN1; SMN2ALOX15ALOX12NR4A1 | |
| Hydrochloric Acid SCHEMBL7658653 | 0.86 | KIT (0.48) | DDR1DDR2BRAFKIT | |
| SCHEMBL6805394 | 0.86 | MAPT (0.44) | MAPTSMN1; SMN2ALOX15ALOX12NR4A1 | |
| Hydrochloric Acid SCHEMBL6915918 | 0.85 | MAPT (0.43) | MAPTSMN1; SMN2ALOX15ALOX12NR4A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | claimed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |