Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.49 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
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 | 0.86 | MPO (0.60) | MPOCYP3A4ELANECYP11B2CYP17A1 | |
| SCHEMBL8309725 | 0.81 | ESR1 (0.52) | BACE1MPOCYP3A4ELANECYP11B2 | |
| SCHEMBL14267917 | 0.80 | MPO (0.56) | MPOCYP3A4ELANECYP11B2CYP17A1 | |
| SCHEMBL29683716 | 0.79 | MAOB (0.49) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL20211880 | 0.79 | MAOB (0.49) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL15874725 | 0.79 | MPO (0.55) | BACE1MPOELANESMN1; SMN2KDM4E | |
| SCHEMBL6858889 | 0.78 | MPO (0.57) | BACE1MPOCYP3A4ELANESMN1; SMN2 | |
| SCHEMBL7633335 | 0.78 | MPO (0.51) | MPOCYP3A4ELANECYP11B2SMN1; SMN2 | |
| SCHEMBL3785482 | 0.75 | MPO (0.55) | MPOCYP3A4ELANECYP11B2CYP17A1 | |
| SCHEMBL6789105 | 0.75 | PTPN1 (0.46) | BACE1MPOCYP3A4ELANEKDM4E |
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 |