Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11073047 | 0.89 | ALOX15 (0.39) | NFKB1NFKB2RELACA2CA5A | |
| SCHEMBL11080308 | 0.89 | CA12 (0.44) | NFKB1NFKB2RELACYP19A1ALOX15 | |
| SCHEMBL11083650 | 0.88 | NFKB1 (0.51) | NFKB1NFKB2RELACA2CA5A | |
| SCHEMBL11080406 | 0.88 | CYP19A1 (0.46) | NFKB1NFKB2RELACA2CA5A | |
| SCHEMBL11076881 | 0.86 | CYP19A1 (0.49) | NFKB1NFKB2RELACYP19A1ALOX15 | |
| SCHEMBL11081634 | 0.80 | CYP3A4 (0.43) | NFKB1NFKB2RELACYP19A1ALOX15 | |
| SCHEMBL11080733 | 0.76 | TUBB4A (0.42) | NFKB1NFKB2RELACYP19A1ALOX15 | |
| SCHEMBL11086603 | 0.74 | NPC1 (0.42) | NFKB1NFKB2RELACYP19A1ALOX15 | |
| SCHEMBL11084825 | 0.72 | KDM1A (0.39) | NFKB1NFKB2RELACA2CA5A | |
| SCHEMBL11089116 | 0.71 | KDM1A (0.38) | NFKB1NFKB2RELACA2CA5A |
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-4436749-A | CARDIOVASCULAR DISORDERS | PIERRE FABRE S.A. (FR) | 1984-03-13 | — | — | US | disclosed |