Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PREP | P48147 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CTSK | P43235 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CTSL | P07711 | 2/20 | 0.51 |
| ▸ | CTSB | P07858 | 2/20 | 0.51 |
| ▸ | CTSS | P25774 | 2/20 | 0.51 |
| ▸ | ELANE | P08246 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL15081415 | 1.00 | CYP1A2 (0.56) | CYP1A2PREPALDH1A1CTSKCYP3A4 | |
| SCHEMBL28855000 | 0.84 | CYP1A2 (0.55) | CYP1A2PREPALDH1A1CTSKCYP3A4 | |
| SCHEMBL26276986 | 0.84 | CYP1A2 (0.55) | CYP1A2PREPALDH1A1CTSKCYP3A4 | |
| SCHEMBL607313 | 0.84 | CYP1A2 (0.55) | CYP1A2PREPALDH1A1CTSKCYP3A4 | |
| SCHEMBL6908194 | 0.83 | CTSL (0.60) | CYP1A2CTSKCYP3A4TSHRCTSL | |
| SCHEMBL26295295 | 0.82 | CYP1A2 (0.54) | CYP1A2PREPALDH1A1CTSKCYP3A4 | |
| SCHEMBL11431644 | 0.82 | ALDH1A1 (0.61) | CYP1A2PREPALDH1A1CTSKCYP3A4 | |
| SCHEMBL13859222 | 0.82 | CTSK (0.48) | CYP1A2PREPALDH1A1CTSKCYP3A4 | |
| SCHEMBL31723013 | 0.82 | CYP1A2 (0.56) | CYP1A2PREPALDH1A1CTSKCYP3A4 | |
| SCHEMBL18800854 | 0.81 | CYP1A2 (0.61) | CYP1A2PREPALDH1A1CTSKCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104024226-B | Novel nicotinamide derivative or salt thereof | FUJIFILM CORP. (JP) | 2016-06-01 | — | — | CN | disclosed |