Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | F12 | P00748 | 1/20 | 0.37 |
| ▸ | F7 | P08709 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | NOS3 | P29474 | 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 | |
|---|---|---|---|---|
| SCHEMBL27008231 | 0.84 | TAAR1 (0.52) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| SCHEMBL1024478 | 0.80 | MAPT (0.59) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| SCHEMBL6758034 | 0.75 | CYP2C19 (0.50) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| SCHEMBL29032356 | 0.74 | KMT2A (0.50) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| SCHEMBL1623120 | 0.74 | KMT2A (0.61) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| Hydrochloric Acid SCHEMBL1238222 | 0.72 | KMT2A (0.59) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| SCHEMBL10634057 | 0.72 | CYP2C19 (0.42) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| SCHEMBL3109821 | 0.72 | KMT2A (0.48) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| SCHEMBL1456007 | 0.72 | TAAR1 (0.50) | KMT2AMAPTTAAR1CYP2C19HIF1A | |
| SCHEMBL744277 | 0.72 | TAAR1 (0.50) | KMT2AMAPTTAAR1CYP2C19HIF1A |
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-2023117681-A1 | HETEROAROMATIC COMPOUNDS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-06-29 | — | — | WO | disclosed |