Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.44 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL26092261 | 0.80 | KMT2A (0.41) | DRD4HTR1A | |
| SCHEMBL24938938 | 0.80 | CYP19A1 (0.38) | HTR6DRD4HTR1A | |
| SCHEMBL24145684 | 0.79 | FAAH (0.39) | CYP2D6HCRTR1HCRTR2TSHRDRD4 | |
| SCHEMBL30337200 | 0.79 | FAAH (0.39) | CYP2D6HCRTR1HCRTR2TSHRDRD4 | |
| SCHEMBL30337587 | 0.78 | FAAH (0.44) | — | |
| SCHEMBL24153446 | 0.76 | FAAH (0.43) | BCHEHCRTR1HCRTR2DRD4HTR1A | |
| SCHEMBL24939934 | 0.72 | CYP2D6 (0.56) | BCHECYP2D6HTR6LMNAHTT | |
| SCHEMBL30337242 | 0.70 | HTR1A (0.44) | HCRTR1HCRTR2DRD4HTR1AHTR7 | |
| SCHEMBL24152400 | 0.69 | FAAH (0.32) | DRD4HTR1A | |
| SCHEMBL30337569 | 0.68 | KDM4E (0.46) | LMNAHTTKDM4EPOLBHTR1A |
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-2021086038-A1 | NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING SAME | 홀로스메딕 주식회사 | 2021-05-06 | — | — | WO | disclosed |