Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACVR2A | P27037 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.32 |
| ▸ | PDE5A | O76074 | 3/20 | 0.32 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.31 |
| ▸ | TUBB | P07437 | 1/20 | 0.31 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.31 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.31 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.31 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.31 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.31 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.31 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.31 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.31 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31088740 | 0.77 | TUBB4A (0.33) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL23555513 | 0.76 | L3MBTL1 (0.39) | CYP2C9CYP2C19 | |
| SCHEMBL23555514 | 0.75 | NNMT (0.50) | — | |
| SCHEMBL31089280 | 0.74 | MAPT (0.40) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL31089176 | 0.74 | TUBB4A (0.31) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL21591735 | 0.68 | MTNR1B (0.45) | — | |
| SCHEMBL31089335 | 0.68 | CYP17A1 (0.38) | ACVR2ATGFBR1TGFBR2CHRNB2CHRNB4 | |
| SCHEMBL20796822 | 0.67 | FOS (0.30) | — | |
| SCHEMBL30504757 | 0.67 | TUBB4A (0.49) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL29037689 | 0.67 | TUBB4A (0.49) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-2024175907-A1 | MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS | C4X DISCOVERY LIMITED (GB) | 2024-08-29 | — | — | WO | disclosed |