Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8970292 | 1.00 | ALDH1A1 (0.70) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL8383162 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MT-CO2ALOX5LMNASMN1; SMN2 | |
| SCHEMBL8383160 | 0.82 | ALDH1A1 (1.00) | ALDH1A1MT-CO2ALOX5LMNASMN1; SMN2 | |
| SCHEMBL7829113 | 0.79 | ALDH1A1 (0.93) | ALDH1A1MT-CO2ALOX5LMNASMN1; SMN2 | |
| SCHEMBL3716740 | 0.79 | ALDH1A1 (0.93) | ALDH1A1MT-CO2ALOX5LMNASMN1; SMN2 | |
| SCHEMBL17532457 | 0.77 | ALDH1A1 (0.77) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL45048 | 0.76 | ALDH1A1 (0.64) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL45049 | 0.76 | ALDH1A1 (0.64) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5455762 | 0.74 | CYP1B1 (0.44) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL11265344 | 0.73 | USP2 (0.54) | ALDH1A1MT-CO2ALOX5LMNARAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5480892-A | SIGMA RECEPTOR ANTAGONISTS; TREATMENT OF PHYSIOLOGICAL OR DRUG INDUCED PSYCHOSIS AND DYSKINESIA | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-02 | — | — | US | disclosed |
| US-5356906-A | (N-phthalimidoalkyl) piperidines useful as treatments for psychosis | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-10-18 | — | — | US | disclosed |
| WO-1993022310-A1 | (N-PHTHALIMIDOALKYL)PIPERIDINES FOR THE TREATMENT OF PSYCHOSES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-11-11 | — | — | WO | disclosed |
| WO-1991006297-A1 | (N-PHTHALIMIDOALKYL) PIPERIDINES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-05-16 | — | — | WO | disclosed |