Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2735282 | 0.78 | ALDH1A1 (0.59) | ALDH1A1GAACASP6NPC1RAB9A | |
| SCHEMBL17142801 | 0.74 | GRM4 (0.55) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14938844 | 0.72 | POLB (0.54) | ALDH1A1GAAPOLBCYP1A2CYP3A4 | |
| SCHEMBL625881 | 0.71 | NPC1 (0.72) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14284361 | 0.71 | KMT2A (0.58) | ALDH1A1POLBCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL17703429 | 0.70 | ALDH1A1 (0.86) | ALDH1A1GAAPOLBKMT2AMAPK1 | |
| SCHEMBL950894 | 0.69 | NPC1 (0.68) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2912570 | 0.69 | SMN1; SMN2 (0.82) | ALDH1A1POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17143115 | 0.69 | SMN1; SMN2 (0.54) | ALDH1A1GAASMN1; SMN2KMT2ALMNA | |
| SCHEMBL213391 | 0.69 | ALDH1A1 (0.76) | ALDH1A1GAANPC1RAB9AKMT2A |
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-8088767-B2 | JAK-2 modulators and methods of use | EXELIXIS, INC. (US) | 2012-01-03 | — | — | US | claimed |
| EP-0248414-A2 | Aralkyl imidazole derivatives | CIBA-GEIGY AG (CH) | 1987-12-09 | — | — | EP | disclosed |