Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 5/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.45 |
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4279972 | 0.99 | SMN1; SMN2 (0.47) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| SCHEMBL4276192 | 0.89 | HPGD (0.58) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| SCHEMBL4282184 | 0.89 | HPGD (0.52) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL4287252 | 0.89 | HPGD (0.57) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL4287316 | 0.88 | HPGD (0.52) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| SCHEMBL13573324 | 0.88 | HPGD (0.45) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| SCHEMBL4283504 | 0.87 | HPGD (0.47) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| SCHEMBL4288907 | 0.86 | HPGD (0.52) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL4278242 | 0.85 | HPGD (0.51) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E | |
| SCHEMBL4275871 | 0.84 | HPGD (0.46) | SMN1; SMN2KMT2AHPGDALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009150196-A1 | N-THIAZOLYL-1, 2, 3, 4-TETRAHYDRO-6-ISOQUINOLINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF STEAROYL COENZYME A DESATURASE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-12-17 | — | — | WO | claimed |
| WO-2009150196-A1 | N-THIAZOLYL-1, 2, 3, 4-TETRAHYDRO-6-ISOQUINOLINECARBOXAMIDE DERIVATIVES AS INHIBITORS OF STEAROYL COENZYME A DESATURASE | SMITHKLINE BEECHAM CORPORATION (US) | 2009-12-17 | — | — | WO | disclosed |