Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CTSD | P07339 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27518956 | 0.87 | CYP1A2 (0.56) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 | |
| SCHEMBL7732576 | 0.85 | ALDH1A1 (0.49) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 | |
| SCHEMBL7733253 | 0.85 | CYP1A2 (0.54) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 | |
| SCHEMBL7732959 | 0.83 | CYP1A2 (0.48) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 | |
| SCHEMBL20921370 | 0.83 | ALDH1A1 (0.47) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 | |
| SCHEMBL29695357 | 0.78 | ALDH1A1 (0.53) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 | |
| SCHEMBL992973 | 0.78 | ALDH1A1 (0.53) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 | |
| SCHEMBL11254195 | 0.78 | CYP1A2 (0.50) | CYP1A2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL6680574 | 0.77 | ALDH1A1 (0.45) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 | |
| SCHEMBL3051206 | 0.77 | CYP1A2 (0.68) | CYP1A2ALDH1A1TSHRPOLBCYP2C19 |
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-6476266-B1 | Diamino compound and production process for the same | CHISSO CORPORATION (JP) | 2002-11-05 | — | — | US | disclosed |