Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22199023 | 0.82 | LTA4H (0.39) | SLC6A4TTRLTA4HTSHRADORA1 | |
| SCHEMBL22184947 | 0.79 | HTR2A (0.36) | SLC6A4HTR2ATTRLTA4HNTRK1 | |
| SCHEMBL22198964 | 0.77 | BRD4 (0.39) | BRD4CYP1A2MAPTHPGDKMT2A | |
| SCHEMBL11749957 | 0.77 | ALDH1A1 (0.45) | SLC6A4LTA4HTSHRBRD4CYP1A2 | |
| Phosphoric Acid SCHEMBL10790076 | 0.76 | CTNNB1 (0.39) | TTRBRD4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL22199037 | 0.76 | SMN1; SMN2 (0.46) | CYP1A2CYP2C9CYP2C19MEN1MAPT | |
| SCHEMBL27757744 | 0.74 | ALDH1A1 (0.52) | TTRLTA4HTSHRMEN1MAPT | |
| SCHEMBL11235400 | 0.74 | SLC6A4 (0.42) | SLC6A4HTR2ALTA4HTSHRBRD4 | |
| SCHEMBL10708885 | 0.74 | FABP4 (0.38) | BRD4CYP1A2MAPTHPGDKMT2A | |
| SCHEMBL13545692 | 0.74 | ACHE (0.41) | SLC6A4TTRBRD4CYP1A2MAPT |
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-2020141439-A1 | HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2020-07-09 | — | — | WO | disclosed |