Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TOP2A | P11388 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.40 |
| ▸ | WNT3A | P56704 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14050054 | 0.88 | CYP1A2 (0.53) | ALDH1A1KMT2AMAPTCYP1A2CYP3A4 | |
| SCHEMBL9872864 | 0.81 | CYP1A2 (0.67) | ALDH1A1KMT2AMAPTCYP1A2CYP3A4 | |
| SCHEMBL13742763 | 0.80 | CYP1A2 (0.64) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL13742811 | 0.77 | CYP2D6 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL1464157 | 0.77 | CYP1A2 (0.69) | ALDH1A1KMT2AMAPTCYP1A2CYP3A4 | |
| SCHEMBL2115655 | 0.76 | PIN1 (0.64) | ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10 | |
| SCHEMBL8826177 | 0.74 | SLC29A1 (0.47) | ALDH1A1KMT2AMAPTCYP1A2CYP3A4 | |
| SCHEMBL13742856 | 0.72 | CYP1A2 (0.67) | ALDH1A1KMT2AMAPTCYP1A2CYP3A4 | |
| SCHEMBL4845428 | 0.72 | POLB (0.47) | ALDH1A1HSD17B10HPGDENPP1SMN1; SMN2 | |
| SCHEMBL14028457 | 0.72 | ALDH1A1 (0.65) | ALDH1A1KMT2AMAPTCYP1A2CYP3A4 |
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-5017701-A | Process for the preparation of purine derivatives | BEECHAM GROUP, P.L.C. (GB) | 1991-05-21 | — | — | US | disclosed |
| EP-0352953-A2 | Process for the preparation of purine derivatives | BEECHAM GROUP PLC (GB) | 1990-01-31 | — | — | EP | disclosed |