Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23978714 | 0.86 | CYP19A1 (0.35) | TXNRD1ALDH1A1LMNAHPGDCYP19A1 | |
| SCHEMBL23978863 | 0.76 | NPC1 (0.41) | APEX1MAPTALOX12 | |
| SCHEMBL23979015 | 0.74 | EPHX2 (0.44) | P2RY12 | |
| SCHEMBL23978881 | 0.74 | MEN1 (0.50) | LMNAHPGD | |
| SCHEMBL23979023 | 0.71 | ERCC1 (0.45) | ROCK2 | |
| SCHEMBL16442463 | 0.70 | LOXL2 (0.49) | ALDH1A1SMN1; SMN2HTTLMNAMAPT | |
| SCHEMBL23978902 | 0.66 | EPHX2 (0.39) | ROCK2P2RY12 | |
| SCHEMBL23978689 | 0.66 | NPC1 (0.55) | MMP13HPGDROCK2APEX1 | |
| SCHEMBL23978695 | 0.65 | ROCK2 (0.51) | SMN1; SMN2HTTMMP13LMNAHPGD | |
| SCHEMBL14581253 | 0.64 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2HTTLMNAHPGD |
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 |