Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.56 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.54 |
| ▸ | RXRA | P19793 | 7/20 | 0.53 |
| ▸ | RXRB | P28702 | 7/20 | 0.53 |
| ▸ | RXRG | P48443 | 7/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.46 |
| ▸ | GRK2 | P25098 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL69614 | 0.81 | CA2 (0.79) | CA2CAMK2AAKR1B1LMNAGAA | |
| SCHEMBL9321449 | 0.80 | AKR1B1 (0.52) | AKR1B1RXRARXRBRXRGLMNA | |
| SCHEMBL267205 | 0.78 | RXRA (0.68) | CA2CAMK2AAKR1B1RXRARXRB | |
| SCHEMBL1505324 | 0.78 | ALDH1A1 (0.59) | CA2RXRARXRBRXRGGAA | |
| SCHEMBL11432562 | 0.78 | CA2 (0.56) | CA2CAMK2AAKR1B1RXRARXRB | |
| SCHEMBL9244144 | 0.78 | ESR1 (0.56) | CA2CAMK2AAKR1B1RXRARXRB | |
| SCHEMBL11433162 | 0.78 | CA2 (0.56) | CA2CAMK2AAKR1B1RXRARXRB | |
| Hydrochloric Acid SCHEMBL25180348 | 0.78 | CA2 (0.75) | CA2CAMK2AAKR1B1LMNAGAA | |
| Hydrochloric Acid SCHEMBL6765874 | 0.78 | CA2 (0.75) | CA2CAMK2AAKR1B1LMNAGAA | |
| SCHEMBL7670360 | 0.78 | ESR1 (0.38) | TSHRALDH1A1TDP1 |
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-0232989-B1 | ISOQUINOLINE DERIVATIVES | Dr. Lo. Zambeletti S.p.A. (IT) | 1991-08-21 | — | — | EP | disclosed |
| US-4806547-A | Isoquinoline derivatives, analgesic compounds thereof and method of treating pain | DR. LO. ZAMBELETTI SPA (IT) | 1989-02-21 | — | — | US | disclosed |
| EP-0232989-A2 | Isoquinoline derivatives | Dr. Lo. Zambeletti S.p.A. (IT) | 1987-08-19 | — | — | EP | disclosed |