Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10692695 | 0.79 | USP2 (0.43) | ALDH1A1LMNAMAOAMAOBKDM4E | |
| SCHEMBL11294943 | 0.78 | CA12 (0.61) | CA12CA1CA2CA7CA13 | |
| SCHEMBL10687380 | 0.76 | ALDH1A1 (0.47) | ALDH1A1LMNAHPGDCYP1A2SOAT1 | |
| SCHEMBL10693123 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDSOAT1SMN1; SMN2 | |
| SCHEMBL8770742 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDSOAT1SMN1; SMN2 | |
| SCHEMBL8770626 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDSOAT1SMN1; SMN2 | |
| SCHEMBL7234564 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDSOAT1SMN1; SMN2 | |
| SCHEMBL8770771 | 0.74 | ALDH1A1 (0.50) | ALDH1A1LMNAHPGDSOAT1SMN1; SMN2 | |
| SCHEMBL6912551 | 0.73 | CA12 (0.37) | CA12CA1CA2CA7CA13 | |
| SCHEMBL11858085 | 0.71 | TSHR (0.39) | CA12CA1CA2CA7CA13 |
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 |
|---|---|---|---|---|---|---|---|
| US-4734522-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-03-29 | — | — | US | disclosed |
| US-4578210-A | Carbocyclic six-membered ring compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-03-25 | — | — | US | disclosed |
| EP-0134576-A2 | Carbocyclic six-membered ring compounds | MERCK PATENT GmbH (DE) | 1985-03-20 | — | — | EP | disclosed |