Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 5/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | NPC1 | O15118 | 4/20 | 0.65 |
| ▸ | RAB9A | P51151 | 4/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.63 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | NAMPT | P43490 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | NQO2 | P16083 | 1/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL6298333 | 0.90 | ROCK2 (0.66) | ROCK2CYP3A4NPC1RAB9APOLB | |
| SCHEMBL6294893 | 0.90 | ROCK2 (0.65) | ROCK2CYP3A4NPC1RAB9APOLB | |
| SCHEMBL6293939 | 0.90 | ROCK2 (0.65) | ROCK2CYP3A4NPC1RAB9APOLB | |
| SCHEMBL6298384 | 0.90 | ROCK2 (0.65) | ROCK2CYP3A4NPC1RAB9APOLB | |
| SCHEMBL6299453 | 0.90 | NPC1 (0.65) | ROCK2CYP3A4NPC1RAB9APOLB | |
| SCHEMBL6293954 | 0.90 | ROCK2 (0.77) | ROCK2CYP3A4NPC1RAB9APOLB | |
| SCHEMBL6294963 | 0.89 | ROCK2 (0.64) | ROCK2CYP3A4NPC1RAB9APOLB | |
| Hydrochloric Acid SCHEMBL6294010 | 0.89 | ROCK2 (0.64) | ROCK2CYP3A4NPC1RAB9APOLB | |
| SCHEMBL6293964 | 0.88 | ALDH1A1 (0.67) | ROCK2CYP3A4POLBABCB1KMT2A | |
| SCHEMBL306795 | 0.88 | ROCK2 (1.00) | ROCK2CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6841560-B2 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-01-11 | — | — | US | claimed |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | SMITHKLINE BEECHAM P.L.C. | 2003-07-31 | — | — | US | claimed |
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-08-23 | — | — | US | claimed |
| US-6841560-B2 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. (GB) | 2005-01-11 | — | — | US | disclosed |
| US-20040209912-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2004-10-21 | — | — | US | disclosed |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | SMITHKLINE BEECHAM P.L.C. | 2003-07-31 | — | — | US | disclosed |
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | SMITHKLINE BEECHAM P.L.C. | 2001-08-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040209912-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | ROCK2 2314/4885CYP3A4 168/4885NPC1 852/4885 |
| US-20010016657-A1 | Substituted isoquinoline derivatives and their use as anticonvulsants | INA, GRIN2C, GRIN2A | ROCK2 2314/4885CYP3A4 168/4885NPC1 852/4885 |
| US-20030144320-A1 | For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders | PNMT, SLC6A2, GABBR1 | ROCK2 4693/4885CYP3A4 1577/4885NPC1 1493/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.