Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | MIF | P14174 | 2/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4802603 | 0.88 | MPO (0.60) | ESR1MPOCYP3A4CYP11B2CYP17A1 | |
| SCHEMBL20179795 | 0.83 | ESR2 (0.46) | ESR1MIFMPOCYP3A4CYP11B2 | |
| SCHEMBL8310384 | 0.81 | BACE1 (0.49) | MPOCYP3A4CYP11B2CYP17A1CYP11B1 | |
| SCHEMBL14267917 | 0.81 | MPO (0.56) | MPOCYP3A4CYP11B2CYP17A1CYP11B1 | |
| SCHEMBL20211850 | 0.80 | CYP3A4 (0.44) | ESR1MIFMPOCYP3A4CYP11B2 | |
| SCHEMBL30769387 | 0.80 | MPO (0.51) | ESR1MIFMPOCYP3A4CYP11B2 | |
| SCHEMBL6858889 | 0.79 | MPO (0.57) | ESR1MIFMPOCYP3A4BACE1 | |
| SCHEMBL30818754 | 0.79 | LMNA (0.50) | ESR1CYP3A4CYP11B2CYP17A1CASP3 | |
| SCHEMBL6789105 | 0.79 | PTPN1 (0.46) | MPOCYP3A4BACE1NPC1MAPK1 | |
| SCHEMBL1143591 | 0.78 | MPO (0.42) | MPOCYP3A4ESR2BACE1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0954761-A4 | — | — | 1999-11-10 | — | — | EP | disclosed |
| EP-0954761-A1 | PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS | PPG Industries Ohio, Inc. (US) | 1999-11-10 | — | — | EP | disclosed |
| WO-1997022895-A1 | PHOTOCHROMIC SUBSTITUTED NAPHTHOPYRAN COMPOUNDS | PPG INDUSTRIES, INC. (US) | 1997-06-26 | — | — | WO | disclosed |