Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 2/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5959613 | 0.92 | ALDH1A1 (0.75) | ALDH1A1KMT2AMEN1MAPTCASP3 | |
| SCHEMBL19929693 | 0.86 | CASP3 (0.53) | ALDH1A1KMT2AMEN1MAPTCASP3 | |
| 4-Nitroaniline SCHEMBL16451 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL27963818 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL13529022 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| SCHEMBL9065915 | 0.83 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL7158091 | 0.81 | ALDH1A1 (0.95) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| SCHEMBL14664048 | 0.81 | CASP3 (0.63) | ALDH1A1KMT2AMEN1MAPTCASP3 | |
| 4-Nitroaniline SCHEMBL21825602 | 0.81 | ALDH1A1 (0.95) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL7158084 | 0.81 | ALDH1A1 (0.95) | ALDH1A1KMT2AMEN1MAPTESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1995015009-A1 | POROUS CRYSTALLINE MATERIALS HAVING NONLINEAR OPTICAL PROPERTIES | MOBIL OIL CORPORATION (US) | 1995-06-01 | — | — | WO | disclosed |
| US-5348687-A | M41S materials having nonlinear optical properties | MOBIL OIL CORP. (US) | 1994-09-20 | — | — | US | disclosed |