Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA9 | Q16790 | 3/20 | 0.43 |
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL874498 | 0.84 | ACKR3 (0.43) | KHK | |
| SCHEMBL10065068 | 0.82 | ACKR3 (0.39) | ALDH1A1MAPT | |
| SCHEMBL882752 | 0.70 | NAMPT (0.46) | — | |
| SCHEMBL876507 | 0.69 | MAPT (0.46) | KHKALDH1A1MAPTDRD4KMT2A | |
| SCHEMBL22130153 | 0.69 | HTT (0.51) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL30583813 | 0.68 | NPC1 (0.57) | ALDH1A1MAPTDRD4KMT2A | |
| SCHEMBL30583812 | 0.68 | NPC1 (0.57) | ALDH1A1MAPTDRD4KMT2A | |
| SCHEMBL28975685 | 0.68 | NPC1 (0.57) | ALDH1A1MAPTDRD4KMT2A | |
| SCHEMBL873743 | 0.67 | PHGDH (0.48) | KHKALDH1A1MAPTKMT2A | |
| SCHEMBL14862566 | 0.66 | ALDH1A1 (0.55) | ALDH1A1MAPTKMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012038905-A1 | THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |