Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 4/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CRHBP | P24387 | 1/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.53 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2245654 | 0.93 | MAPT (0.56) | HCAR3PRSS1MAPTALDH1A1RAB9A | |
| SCHEMBL30163681 | 0.92 | BRD4 (0.48) | HCAR3PRSS1MAPTALDH1A1RAB9A | |
| SCHEMBL29155054 | 0.92 | BRD4 (0.48) | HCAR3PRSS1MAPTALDH1A1RAB9A | |
| SCHEMBL19451787 | 0.89 | HCAR3 (0.68) | HCAR3PRSS1MAPTALDH1A1RAB9A | |
| SCHEMBL1979111 | 0.88 | ALDH1A1 (0.47) | HCAR3MAPTALDH1A1RAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL23228026 | 0.88 | HCAR3 (0.67) | HCAR3PRSS1MAPTALDH1A1RAB9A | |
| SCHEMBL19449012 | 0.88 | PRSS1 (0.57) | HCAR3PRSS1MAPTALDH1A1RAB9A | |
| SCHEMBL29513132 | 0.88 | PRSS1 (0.57) | HCAR3PRSS1MAPTALDH1A1RAB9A | |
| SCHEMBL28722123 | 0.86 | PRSS1 (0.58) | HCAR3PRSS1MAPTALDH1A1RAB9A | |
| SCHEMBL30163794 | 0.86 | KAT2B (0.58) | HCAR3PRSS1MAPTALDH1A1THRB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4363422-A1 | MACROCYCLIC TAK1 INHIBITORS | Aqilion AB (SE) | 2024-05-08 | — | — | EP | disclosed |
| CN-117561262-A | Macrocyclic TAK1 inhibitors | 阿奎利恩有限公司 | 2024-02-13 | — | — | CN | disclosed |
| WO-2023275199-A1 | MACROCYCLIC TAK1 INHIBITORS | AQILION AB (SE) | 2023-01-05 | — | — | WO | disclosed |