Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9545130 | 1.00 | CYP19A1 (0.37) | CYP19A1NFKB1NFKB2RELAKDM4E | |
| SCHEMBL9198100 | 0.89 | NFKB1 (0.46) | CYP19A1NFKB1NFKB2RELAKDM4E | |
| SCHEMBL9198107 | 0.89 | NFKB1 (0.46) | CYP19A1NFKB1NFKB2RELAKDM4E | |
| SCHEMBL9200820 | 0.81 | CYP2A6 (0.40) | KDM4EKMT2AMAPTNPEPPSMEN1 | |
| SCHEMBL9198802 | 0.72 | NFKB1 (0.45) | NFKB1NFKB2RELAKMT2AMAPT | |
| SCHEMBL9195303 | 0.70 | CYP2A6 (0.36) | KMT2AMEN1CYP2A6PDK2GAA | |
| SCHEMBL9199038 | 0.68 | NFKB1 (0.35) | CYP19A1NFKB1NFKB2RELAKMT2A | |
| SCHEMBL9545528 | 0.67 | GSK3B (0.38) | KDM4EKMT2AMAPTNPC1L3MBTL1 | |
| SCHEMBL9545525 | 0.67 | PDK2 (0.32) | KMT2APDK2CYP1A2CYP2C19 | |
| SCHEMBL9198144 | 0.66 | LIG1 (0.36) | NFKB1NFKB2RELAHPGDPDK2 |
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-1993021185-A1 | SUBSTITUTED NITROGEN CONTAINING SPIRO COMPOUNDS FOR USE IN TREATING COGNITIVE DEFICITS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-10-28 | — | — | WO | disclosed |