Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | RYR2 | Q92736 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11871128 | 0.90 | AKR1B1 (0.55) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL11570381 | 0.84 | AKR1B1 (0.56) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL11867291 | 0.78 | CA12 (0.47) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL11872200 | 0.76 | MAPT (0.43) | AKR1B1TNFMAPTPOLBMEN1 | |
| SCHEMBL11824727 | 0.76 | AKR1B1 (0.74) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL11481280 | 0.76 | MAPT (0.57) | AKR1B1METAP1RYR2MAPTPOLB | |
| SCHEMBL86336 | 0.76 | MAPT (0.50) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL11872009 | 0.74 | AKR1B1 (0.58) | AKR1B1TNFMAPTMEN1KMT2A | |
| SCHEMBL11568863 | 0.74 | AKR1B1 (0.70) | CA12CA9CA1CA2AKR1B1 | |
| SCHEMBL11865994 | 0.73 | AKR1B1 (0.62) | CA2AKR1B1MAPTPOLB |
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-3946036-A | 6,11-Dihydro-11-oxo-dibenzo[b,e]thiepine-2-acetic acids | SANDOZ LTD. (CH) | 1976-03-23 | — | — | US | disclosed |