Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29780668 | 0.90 | TSHR (0.59) | TSHRALDH1A1ATMNPSR1RAB9A | |
| SCHEMBL7974044 | 0.90 | TSHR (0.59) | TSHRALDH1A1ATMNPSR1RAB9A | |
| SCHEMBL6660057 | 0.86 | AKR1B1 (0.39) | TSHRALDH1A1ATMNPSR1ESR1 | |
| SCHEMBL8718934 | 0.84 | ALDH1A1 (0.43) | TSHRALDH1A1ATMNPSR1ESR1 | |
| SCHEMBL31468782 | 0.78 | TRPA1 (0.36) | TSHRALDH1A1ESR1ESR2MAPT | |
| SCHEMBL11778412 | 0.77 | ALDH1A1 (0.51) | TSHRALDH1A1ATMNPSR1 | |
| SCHEMBL3284644 | 0.76 | TSHR (0.42) | TSHRALDH1A1MAPTHPGDCYP1A2 | |
| SCHEMBL29008215 | 0.76 | CHEK1 (0.44) | TSHRALDH1A1ATMNPSR1RAB9A | |
| SCHEMBL4894905 | 0.76 | ALDH1A1 (0.46) | TSHRALDH1A1ATMNPSR1ESR1 | |
| SCHEMBL15625912 | 0.76 | TSHR (0.63) | TSHRALDH1A1ATMNPSR1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-107245037-B | Ladder-shaped macromolecule derivative and preparation method and application thereof | 南京邮电大学 | 2020-02-07 | — | — | CN | disclosed |
| EP-1208088-A2 | FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GmbH (DE) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001010841-A2 | FLUORENE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2001-02-15 | — | — | WO | disclosed |