Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 8/20 | 0.57 |
| ▸ | CA2 | P00918 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | CA9 | Q16790 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11089874 | 1.00 | CA12 (0.57) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL12750114 | 0.91 | CA12 (0.60) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL20628176 | 0.90 | CA12 (0.48) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL8854078 | 0.90 | CA12 (0.47) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL11618256 | 0.88 | CA12 (0.50) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL6090311 | 0.86 | CA12 (0.50) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL6090307 | 0.86 | CA12 (0.50) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL10309895 | 0.84 | ALDH1A1 (0.46) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL19228736 | 0.84 | ALDH1A1 (0.46) | CA12CA2KDM4ECA9ALDH1A1 | |
| SCHEMBL21957561 | 0.83 | CA12 (0.42) | CA12CA2KDM4ECA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4448776-A | Method of using certain substituted aliphatic secondary amines or their salts for easing breathing | BUCHER KARL (CH) | 1984-05-15 | — | — | US | disclosed |