Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4678096 | 0.78 | TSHR (0.43) | TSHRHPGDCYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL4276809 | 0.76 | TSHR (0.42) | TSHRHPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27440689 | 0.74 | NLRP3 (0.34) | TSHR | |
| SCHEMBL18668900 | 0.74 | TSHR (0.52) | TSHRHTTHPGDNPC1CYP1A2 | |
| SCHEMBL7251315 | 0.74 | TSHR (0.40) | TSHRHTTHPGDNPC1CYP1A2 | |
| SCHEMBL31650247 | 0.71 | TSHR (0.37) | TSHRHTTHPGDNPC1CYP1A2 | |
| SCHEMBL441968 | 0.71 | TSHR (0.46) | TSHRHTTHPGDNPC1CYP1A2 | |
| SCHEMBL8093076 | 0.70 | TSHR (0.40) | TSHRHPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL23635792 | 0.69 | TSHR (0.43) | TSHRHTTHPGDNPC1CYP1A2 | |
| SCHEMBL16805895 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3749355-B1 | INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME | UNIV MIAMI (US) | 2024-07-03 | — | — | EP | disclosed |