Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | MITF | O75030 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8120517 | 0.92 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2MITFMAPT | |
| SCHEMBL6602268 | 0.90 | MAPT (0.49) | NPC1RAB9ASMN1; SMN2MITFMAPT | |
| SCHEMBL6600619 | 0.90 | CREBBP (0.46) | NPC1RAB9ASMN1; SMN2MITFMAPT | |
| SCHEMBL5874190 | 0.88 | MAPT (0.53) | NPC1RAB9ASMN1; SMN2MITFMAPT | |
| SCHEMBL5874020 | 0.81 | MEN1 (0.59) | NPC1RAB9ASMN1; SMN2MITFMAPT | |
| SCHEMBL6604270 | 0.81 | KCNQ3 (0.47) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL6602962 | 0.81 | MAPT (0.55) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL5874014 | 0.80 | MEN1 (0.58) | NPC1RAB9ASMN1; SMN2MITFMAPT | |
| SCHEMBL5874018 | 0.80 | MAPT (0.49) | NPC1RAB9ASMN1; SMN2MITFMAPT | |
| SCHEMBL5874021 | 0.79 | MEN1 (0.56) | NPC1RAB9ASMN1; SMN2MITFMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | claimed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | claimed |
| EP-1042296-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2004-02-25 | — | — | EP | disclosed |
| US-6248754-B1 | PSYCHOLOGICAL DISORDERS | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-06-19 | — | — | US | disclosed |
| EP-1042296-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031068-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 1999-06-24 | — | — | WO | disclosed |