Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL11517611 | 0.89 | AKR1B1 (0.53) | AKR1B1PTGS2KMT2ASMN1; SMN2DRD1 | |
| SCHEMBL11519465 | 0.89 | AKR1B1 (0.69) | AKR1B1PTGS2OPRK1PDE4DAKR1C3 | |
| SCHEMBL11520301 | 0.88 | AKR1B1 (0.68) | AKR1B1PTGS2OPRK1PDE4DAKR1C3 | |
| SCHEMBL11517083 | 0.86 | AKR1B1 (0.72) | AKR1B1PTGS2OPRK1PDE4DAKR1C3 | |
| SCHEMBL11519016 | 0.84 | AKR1B1 (0.46) | AKR1B1KMT2ASMN1; SMN2DRD1MEN1 | |
| SCHEMBL11519560 | 0.81 | AKR1B1 (0.45) | AKR1B1KMT2ADRD1MEN1PKM | |
| SCHEMBL11520715 | 0.80 | AKR1B1 (1.00) | AKR1B1PTGS2OPRK1PDE4DAKR1C3 | |
| SCHEMBL11521696 | 0.79 | AKR1B1 (0.76) | AKR1B1PTGS2OPRK1PDE4DAKR1C3 | |
| SCHEMBL11518158 | 0.79 | PGR (0.47) | AKR1B1PDE4DKMT2ATP53SMN1; SMN2 | |
| SCHEMBL11517481 | 0.78 | AKR1B1 (0.55) | AKR1B1PTGS2PDE4DKMT2ATP53 |
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-4172949-A | 2,4-Disubstituted-5-oxo-5H-dibenzo[a,d]cycloheptenes | SYNTEX (U.S.A.) INC. (US) | 1979-10-30 | — | — | US | disclosed |