Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | POLB | P06746 | 3/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.61 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.60 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.60 |
| ▸ | NQO2 | P16083 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL2796287 | 0.96 | POLB (0.71) | ALDH1A1POLBNPC1SMN1; SMN2KDM4E | |
| SCHEMBL9491966 | 0.86 | MTNR1A (0.64) | ALDH1A1KDM4EMTNR1AMTNR1BNQO2 | |
| SCHEMBL9490611 | 0.83 | MTNR1A (0.64) | ALDH1A1POLBKDM4EMTNR1AMTNR1B | |
| SCHEMBL9490284 | 0.82 | MTNR1A (0.65) | ALDH1A1POLBKDM4EMTNR1AMTNR1B | |
| SCHEMBL8747121 | 0.82 | KMT2A (0.71) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL21540797 | 0.81 | HTR2C (0.57) | ALDH1A1POLBNPC1SMN1; SMN2KDM4E | |
| SCHEMBL5523975 | 0.81 | ALDH1A1 (0.75) | ALDH1A1POLBNPC1SMN1; SMN2MEN1 | |
| SCHEMBL552037 | 0.81 | GPBAR1 (0.55) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7417537 | 0.80 | KMT2A (0.59) | ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL9491275 | 0.80 | MTNR1A (0.65) | ALDH1A1KDM4EMTNR1AMTNR1BNQO2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5807868-A | ANALGESICS; PSYCHOLOGICAL DISORDES; PARKINSON*S DIESASE;COGNITION ACTIVATORS; DRUG DEPENDENCE; DYSKINESIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-09-15 | — | — | US | disclosed |
| US-5804586-A | ANALGESICS, PSYCHOLOGICAL DISORDERS | KNOLL AKTIENGESELLSCHAFT (DE) | 1998-09-08 | — | — | US | disclosed |
| EP-0707570-B1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1998-05-06 | — | — | EP | disclosed |
| EP-0707570-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995000489-A1 | ISOQUINOLINE DERIVATIVES AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |