Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL31264766 | 0.99 | ROCK1 (0.47) | ROCK1SMN1; SMN2ALDH1A1GAAPOLB | |
| SCHEMBL31264645 | 0.98 | ROCK1 (0.47) | ROCK1SMN1; SMN2ALDH1A1GAAPOLB | |
| SCHEMBL31264679 | 0.85 | ROCK1 (0.44) | ROCK1ALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL31264738 | 0.85 | ROCK1 (0.46) | ROCK1LPLLIPGBACE1BACE2 | |
| SCHEMBL6481483 | 0.81 | ROCK1 (0.46) | ROCK1RAB9ALMNAHTTLPL | |
| SCHEMBL28929431 | 0.80 | ROCK1 (0.45) | ROCK1LPLLIPGBACE1BACE2 | |
| SCHEMBL28481380 | 0.79 | ALDH1A1 (0.62) | SMN1; SMN2ALDH1A1GAAPOLBTDP1 | |
| SCHEMBL6183441 | 0.77 | ROCK1 (0.45) | ROCK1LPLLIPGBACE1BACE2 | |
| SCHEMBL12795963 | 0.76 | TSHR (0.49) | ROCK1ALDH1A1POLBTSHRNPC1 | |
| SCHEMBL13717948 | 0.76 | GPR119 (0.58) | ROCK1BACE1BACE2USP30 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4722216-A1 | PYRROLOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE | Kangbaida (Sichuan) Biotechnology Co., Ltd. (CN) | 2026-04-08 | — | — | EP | disclosed |
| CN-119894900-A | Pyrrolo pyrimidine derivative and application thereof in medicine | 康百达（四川）生物医药科技有限公司 | 2025-04-25 | — | — | CN | disclosed |
| WO-2024251147-A1 | PYRROLOPYRIMIDINE DERIVATIVE AND USE THEREOF IN MEDICINE | 康百达（四川）生物医药科技有限公司 | 2024-12-12 | — | — | WO | disclosed |