Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ALPL | P05186 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6001346 | 0.95 | PARP1 (0.46) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL14415619 | 0.95 | PARP1 (0.46) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL6001349 | 0.95 | PARP1 (0.46) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL14415635 | 0.86 | NPC1 (0.59) | PARP1CES2CES1 | |
| SCHEMBL14415656 | 0.83 | CYP1A2 (0.47) | MEN1KMT2APTGS1 | |
| SCHEMBL6260612 | 0.81 | CES2 (0.48) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL14415704 | 0.80 | PARP1 (0.46) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL11994153 | 0.78 | TBXAS1 (0.48) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL14415616 | 0.77 | CES2 (0.44) | PARP1CES2CES1HDAC1HDAC6 | |
| SCHEMBL5688134 | 0.77 | CES2 (0.44) | PARP1CES2CES1HDAC1HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7268166-B2 | Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases | NPS PHARMACEUTICALS, INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-7268166-B2 | Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases | NPS PHARMACEUTICALS, INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-20060142594-A1 | Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases | MUELLER ALAN L | 2006-06-29 | — | — | US | disclosed |
| US-6750244-B2 | NERVOUS SYSTEM DISORDERS | NPS PHARMACEUTICALS, INC. | 2004-06-15 | — | — | US | disclosed |
| US-6211245-B1 | DRUGS FOR CONTROLLING CALCIUM MODULATORS | NPS PHARMACEUTICALS, INC. | 2001-04-03 | — | — | US | disclosed |
| US-6017965-A | TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA | NPS PHARMACEUTICALS, INC. (US) | 2000-01-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060142594-A1 | Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases | NCS1, ATP2A1, CACNA1D | PARP1 1455/4885CES2 870/4885CES1 2100/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.