Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 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 | |
|---|---|---|---|---|
| SCHEMBL878588 | 0.89 | AR (0.44) | MAPK1POLBARTDP1RAB9A | |
| SCHEMBL10070272 | 0.85 | SLC6A3 (0.45) | POLBARRAB9ASMN1; SMN2HTT | |
| SCHEMBL4703944 | 0.82 | HTT (0.40) | POLBARTDP1SMN1; SMN2TP53 | |
| SCHEMBL877737 | 0.78 | MMP2 (0.46) | MAPK1POLBARTDP1RAB9A | |
| SCHEMBL28772793 | 0.73 | TLR8 (0.43) | POLBARRAB9ASMN1; SMN2HTT | |
| SCHEMBL27721850 | 0.72 | MGLL (0.44) | ARSMN1; SMN2HTTALDH1A1 | |
| SCHEMBL28772854 | 0.72 | MGLL (0.44) | ARSMN1; SMN2HTTALDH1A1 | |
| SCHEMBL4703530 | 0.71 | AR (0.40) | ARSMN1; SMN2TP53HTTALDH1A1 | |
| Bicarbonate SCHEMBL1562172 | 0.71 | MAPK1 (0.68) | MAPK1POLBTDP1SRD5A2ALDH1A1 | |
| Bicarbonate SCHEMBL27200925 | 0.71 | MAPK1 (0.68) | MAPK1POLBTDP1SRD5A2ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |