Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10554541 | 0.83 | SIGMAR1 (0.57) | TSHRALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL2660114 | 0.82 | CYP19A1 (0.69) | ALDH1A1KMT2APOLBMAPT | |
| SCHEMBL5905840 | 0.80 | KMT2A (0.70) | TSHRALDH1A1KDM4ELMNAMEN1 | |
| SCHEMBL7094874 | 0.80 | HTT (0.56) | TSHRALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL30000671 | 0.80 | HTT (0.56) | TSHRALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL15800712 | 0.79 | ALDH1A1 (0.78) | TSHRALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL2677183 | 0.78 | TSHR (0.67) | TSHRALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL10918542 | 0.77 | TSHR (0.71) | TSHRALDH1A1TDP1LMNAHTT | |
| SCHEMBL8802767 | 0.77 | TSHR (0.56) | TSHRALDH1A1KDM4ETDP1LMNA | |
| SCHEMBL29585792 | 0.77 | ALDH1A1 (0.64) | TSHRALDH1A1KDM4ETDP1LMNA |
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-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |