Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MC5R | P33032 | 1/20 | 0.47 |
| ▸ | SCD | O00767 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL3670764 | 0.88 | CYP3A4 (0.54) | CYP3A4NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL3670648 | 0.87 | ALDH1A1 (0.60) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3671810 | 0.87 | SMN1; SMN2 (0.49) | CYP3A4NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL3670776 | 0.84 | NPC1 (0.49) | CYP3A4NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL3676071 | 0.83 | ALDH1A1 (0.53) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3670641 | 0.83 | SLC6A4 (0.51) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3669356 | 0.83 | NPC1 (0.51) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3674850 | 0.82 | SLC6A4 (0.50) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3671541 | 0.82 | SCD (0.59) | NPC1ALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL3668223 | 0.82 | SLC6A4 (0.49) | CYP3A4NPC1ALDH1A1MAPTRAB9A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1763350-B1 | NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC (CA) | 2011-12-21 | — | — | EP | claimed |
| US-20090197894-A1 | NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2009-08-06 | — | — | US | claimed |
| US-20050119251-A1 | Nicotinamide derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC. (CA) | 2005-06-02 | — | — | US | claimed |
| EP-1763350-B1 | NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC (CA) | 2011-12-21 | — | — | EP | disclosed |
| EP-2266566-A2 | Nicotinamide derivatives and their use as therapeutic agents | Xenon Pharmaceuticals Inc. (CA) | 2010-12-29 | — | — | EP | disclosed |
| US-20090197894-A1 | NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2009-08-06 | — | — | US | disclosed |
| US-20070087363-A1 | Therapeutic methods, compounds and compositions | MYRIAD GENETICS, INCORPORATED (US) | 2007-04-19 | — | — | US | disclosed |
| US-20050119251-A1 | Nicotinamide derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC. (CA) | 2005-06-02 | — | — | 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 (3 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-20050119251-A1 | Nicotinamide derivatives and their use as therapeutic agents | NAMPT, NNT, NNMT | CYP3A4 1444/4885NPC1 94/4885ALDH1A1 1127/4885 |
| US-20070087363-A1 | Therapeutic methods, compounds and compositions | APP, BACE1, PSEN1 | CYP3A4 4835/4885NPC1 31/4885ALDH1A1 3898/4885 |
| US-20090197894-A1 | NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | NAMPT, NNT, NNMT | CYP3A4 1444/4885NPC1 94/4885ALDH1A1 1127/4885 |
“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.