Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23978863 | 0.90 | NPC1 (0.41) | MAPTALOX12RXFP1 | |
| SCHEMBL23979015 | 0.88 | EPHX2 (0.44) | P2RY12 | |
| SCHEMBL23978881 | 0.87 | MEN1 (0.50) | LMNACYP3A4CYP2D6MEN1PLA2G1B | |
| SCHEMBL23979115 | 0.86 | TXNRD1 (0.36) | CYP19A1TXNRD1LMNAALDH1A1MAPT | |
| SCHEMBL26507428 | 0.76 | MMP13 (0.40) | ALDH1A1MAPTALOX12MEN1CYP2C19 | |
| SCHEMBL23978777 | 0.76 | ROCK2 (0.48) | CYP3A4CYP2D6MEN1PLA2G1BCYP1A2 | |
| SCHEMBL23979023 | 0.74 | ERCC1 (0.45) | CHRM3 | |
| SCHEMBL23979140 | 0.72 | EPHX2 (0.54) | LMNAALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL23978992 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL14581253 | 0.68 | SMN1; SMN2 (0.43) | LMNAALDH1A1MAPTPKMALOX12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |