Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | APAF1 | O14727 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2013073 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL41849 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL202864 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL65211 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL10576066 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL4446167 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL4455485 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL1331804 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRMAOA | |
| SCHEMBL4733455 | 0.75 | CYP19A1 (0.53) | ALDH1A1MEN1KMT2AMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8641976 | 0.74 | ALDH1A1 (0.93) | ALDH1A1TDP1CYP3A4TSHRMAOA |
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-9828375-B2 | 4-position substituted pyrazolopyrimidine derivative, and use thereof in drug preparation | GUANGXI WUZHOU PHARMACEUTICALS (GROUP) CO., LTD. (CN) | 2017-11-28 | — | — | US | disclosed |