Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | GALR3 | O60755 | 2/20 | 0.40 |
| ▸ | NR2F2 | P24468 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6974563 | 0.76 | KDM4E (0.41) | CYP11B2RAB9ADCTPP1 | |
| SCHEMBL6968731 | 0.72 | KDM4E (0.41) | CYP11B2RAB9AROCK2ROCK1 | |
| SCHEMBL8358073 | 0.70 | KDR (0.44) | — | |
| SCHEMBL615476 | 0.70 | TNF (0.68) | TNFDHFRGALR3NR2F2RAB9A | |
| SCHEMBL317642 | 0.70 | DCTPP1 (0.70) | TNFDHFRGALR3NR2F2RAB9A | |
| SCHEMBL14340743 | 0.70 | LMNA (0.48) | DHFRRAB9A | |
| SCHEMBL6957957 | 0.70 | ALDH1A1 (0.36) | RAB9ATP53 | |
| Hydrochloric Acid SCHEMBL7085899 | 0.69 | TYMS (0.46) | RAB9A | |
| SCHEMBL6966199 | 0.68 | HDAC6 (0.42) | GALR3NR2F2ROCK2ROCK1 | |
| SCHEMBL6969044 | 0.68 | KDM4E (0.36) | RAB9A |
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-0855391-B1 | NOVEL ISOQUINOLINE DERIVATIVES | DAIICHI SEIYAKU CO (JP) | 2003-10-15 | — | — | EP | disclosed |
| US-5959107-A | Isoquinoline derivatives | SNOW BRAND MILK PRODUCTS CO., LTD. (JP) | 1999-09-28 | — | — | US | disclosed |
| EP-0855391-A1 | NOVEL ISOQUINOLINE DERIVATIVES | SNOW BRAND MILK PRODUCTS CO., LTD. (JP) | 1998-07-29 | — | — | EP | disclosed |