Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31616468 | 0.82 | SIGMAR1 (0.71) | ALDH1A1SIGMAR1TSHRDRD2KMT2A | |
| SCHEMBL31616372 | 0.82 | SIGMAR1 (0.71) | ALDH1A1SIGMAR1TSHRDRD2KMT2A | |
| SCHEMBL2752062 | 0.79 | TAS1R3 (0.71) | POLBALDH1A1TAS1R3TAS1R1TSHR | |
| SCHEMBL20365400 | 0.78 | KMT2A (0.72) | POLBALDH1A1TAS1R3TAS1R1MAPK1 | |
| SCHEMBL6684742 | 0.78 | BRD4 (0.64) | ALDH1A1ACHEBACE1PKMMAPK1 | |
| SCHEMBL6663459 | 0.77 | CHRM3 (0.58) | ACHEBACE1KMT2AL3MBTL1 | |
| SCHEMBL6667431 | 0.77 | ACHE (0.57) | POLBALDH1A1ACHEBACE1TSHR | |
| SCHEMBL5458362 | 0.76 | RAB9A (0.58) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL10542205 | 0.76 | POLB (0.60) | POLBALDH1A1TAS1R3TAS1R1PKM | |
| SCHEMBL1911204 | 0.75 | RECQL (0.54) | POLBCA12CA1CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113354635-B | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2021-09-07 | — | — | CN | disclosed |