Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | MYLK | Q15746 | 3/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | GMNN | O75496 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | MTOR | P42345 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL5352749 | 0.91 | ALDH1A1 (0.67) | CYP3A4CYP2D6MYLKNFKB1KMT2A | |
| SCHEMBL9239617 | 0.90 | ALDH1A1 (0.65) | CYP3A4CYP2D6MYLKNFKB1KMT2A | |
| SCHEMBL8134892 | 0.90 | ALDH1A1 (0.65) | CYP3A4CYP2D6MYLKNFKB1KMT2A | |
| SCHEMBL8767072 | 0.88 | TSHR (0.63) | CYP3A4KMT2AMEN1CYP2C9ALDH1A1 | |
| SCHEMBL8903216 | 0.86 | TSHR (0.66) | CYP3A4KMT2ATP53MEN1CYP2C9 | |
| SCHEMBL19375077 | 0.86 | TSHR (0.66) | CYP3A4KMT2ATP53MEN1CYP2C9 | |
| SCHEMBL28193990 | 0.84 | ALDH1A1 (0.58) | CYP3A4CYP2D6MYLKNFKB1KMT2A | |
| SCHEMBL16613226 | 0.83 | KMT2A (0.74) | CYP3A4CYP2D6MYLKNFKB1KMT2A | |
| SCHEMBL14818738 | 0.83 | TSHR (0.71) | CYP3A4KMT2ATP53MAPK1MEN1 | |
| SCHEMBL5369302 | 0.83 | CYP3A4 (0.59) | CYP3A4KMT2AMEN1CYP2C9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5837202-A | METAL CHELATES AS DETECTORS FOR FLUORESCENCE WITH LIPIDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1998-11-17 | — | — | US | disclosed |
| US-5616790-A | FLUORESCENT CHELATE COMPOUND AS METAL ION DETECTOR | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1997-04-01 | — | — | US | disclosed |