Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.38 |
| ▸ | CA2 | P00918 | 5/20 | 0.38 |
| ▸ | CA4 | P22748 | 5/20 | 0.38 |
| ▸ | CA6 | P23280 | 4/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8469932 | 0.80 | CA1 (0.43) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL11904307 | 0.80 | CA1 (0.41) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL10818954 | 0.79 | KMT2A (0.47) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL3731600 | 0.79 | KMT2A (0.47) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL27899500 | 0.79 | KMT2A (0.47) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL9943495 | 0.78 | CA1 (0.39) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL8469486 | 0.77 | PTGS1 (0.43) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL11123695 | 0.77 | CA1 (0.39) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL918474 | 0.77 | CA1 (0.45) | KMT2ACA1CA2CA4CA6 | |
| SCHEMBL20165714 | 0.77 | CA1 (0.45) | KMT2ACA1CA2CA4CA6 |
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-4443632-A | Macrocyclic carbonyl compounds, process for their preparation and their use as starting materials for the preparation of bicyclic unsaturated hydrocarbons | FIRMENICH SA (CH) | 1984-04-17 | — | — | US | disclosed |