Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | RARA | P10276 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 1/20 | 0.36 |
| ▸ | RARG | P13631 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8329526 | 0.80 | MAPK1 (0.37) | KMT2AMAPTMEN1HPGDKDM4E | |
| SCHEMBL6589030 | 0.80 | PRKCA (0.39) | KMT2APTPN1MAPTMEN1HPGD | |
| SCHEMBL727818 | 0.74 | CYP3A4 (0.46) | KMT2AMAPTMEN1HPGDKDM4E | |
| SCHEMBL6591370 | 0.72 | KMT2A (0.41) | KMT2APTPN1MAPTMEN1HPGD | |
| SCHEMBL8329533 | 0.70 | ALDH1A1 (0.45) | KMT2APTPN1MAPTMEN1HPGD | |
| SCHEMBL16687963 | 0.70 | CA12 (0.58) | KMT2APTPN1MAPTMEN1HPGD | |
| SCHEMBL6591091 | 0.70 | KMT2A (0.38) | KMT2AMEN1KDM4EALDH1A1RARA | |
| SCHEMBL12199135 | 0.69 | CA1 (0.68) | KMT2APTPN1MAPTMEN1HPGD | |
| SCHEMBL10765170 | 0.66 | CYP4A11 (0.62) | MAPTHPGDKDM4EHIF1AMAPK1 | |
| SCHEMBL16687614 | 0.65 | CA2 (0.50) | KMT2APTPN1MAPTMEN1HPGD |
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-5958954-A | 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES | ALLERGAN SALES, INC. (US) | 1999-09-28 | — | — | US | disclosed |