Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17660287 | 0.85 | CYP1A2 (0.69) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL171029 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL6645277 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| Hydrochloric Acid SCHEMBL15848241 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL3156142 | 0.82 | CYP1A2 (0.65) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL13995928 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL30729674 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1HTT | |
| SCHEMBL10864606 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL13995941 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 | |
| SCHEMBL104748 | 0.81 | CYP1A2 (0.62) | CYP1A2CYP2D6ALDH1A1NPSR1CHRM2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0376185-B1 | Process for purification of 1,2-bis(nicotinamido)propane | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1994-08-17 | — | — | EP | claimed |
| EP-0029602-A1 | 1,2-Bis(nicotinamido)propane, process for preparing the same and pharmaceutical composition containing the same | Chugai Seiyaku Kabushiki Kaisha (JP) | 1981-06-03 | — | — | EP | disclosed |