Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 3/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7934875 | 0.84 | AKR1C1 (0.62) | AKR1C1PTGS2MEN1KMT2APOLB | |
| SCHEMBL9071833 | 0.81 | AKR1C1 (0.75) | AKR1C1PTGS2MEN1KMT2APOLB | |
| SCHEMBL3797590 | 0.77 | PTGS2 (0.57) | NQO2AKR1C1PTGS2MEN1KMT2A | |
| SCHEMBL3797595 | 0.77 | PTGS2 (0.57) | NQO2AKR1C1PTGS2MEN1KMT2A | |
| SCHEMBL9351937 | 0.76 | AKR1C3 (0.68) | AKR1C1PTGS2MEN1KMT2AAKR1C3 | |
| Aminobenzoic Acid SCHEMBL28075743 | 0.75 | AKR1C1 (0.71) | AKR1C1PTGS2MEN1KMT2APOLB | |
| SCHEMBL28931332 | 0.74 | PTGS2 (0.73) | NQO2AKR1C1PTGS2MEN1KMT2A | |
| Aminobenzoic Acid SCHEMBL28647117 | 0.74 | CA1 (0.58) | CYP19A1PTGS2MEN1KMT2APOLB | |
| SCHEMBL3793636 | 0.73 | MEN1 (0.61) | NQO2PTGS2MEN1KMT2APOLB | |
| SCHEMBL3793631 | 0.73 | MEN1 (0.61) | NQO2PTGS2MEN1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022251254-A1 | PHARMACOLOGICAL INTERVENTION OF THE ARACHIDONIC ACID PATHWAY TO CURE AMYOTROPHIC LATERAL SCLEROSIS | THE JOHNS HOPKINS UNIVERSITY (US) | 2022-12-01 | — | — | WO | disclosed |