Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25747187 | 0.87 | TSHR (0.55) | TSHRTP53LMNAPDCD1CD274 | |
| SCHEMBL1194199 | 0.77 | TSHR (0.52) | TSHRTP53LMNAPDCD1CD274 | |
| SCHEMBL1194201 | 0.77 | TSHR (0.52) | TSHRTP53LMNAPDCD1CD274 | |
| SCHEMBL2659176 | 0.76 | TSHR (0.59) | TSHRTP53LMNAPDCD1CD274 | |
| SCHEMBL11599541 | 0.74 | TSHR (0.37) | TSHRLMNAALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL27960013 | 0.73 | TSHR (0.47) | TSHRTP53LMNAPDCD1CD274 | |
| SCHEMBL28474930 | 0.73 | NPC1 (0.51) | TSHRTP53LMNAPDCD1CD274 | |
| SCHEMBL1966274 | 0.72 | TSHR (0.59) | TSHRTP53LMNAPDCD1CD274 | |
| SCHEMBL3026427 | 0.72 | TSHR (0.59) | TSHRTP53LMNAPDCD1CD274 | |
| SCHEMBL1172246 | 0.72 | TSHR (0.59) | TSHRTP53LMNAPDCD1CD274 |
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 |
|---|---|---|---|---|---|---|---|
| US-4069257-A | THERMAL DECOMPOSITION OF 2-METHYL-3-HYDROXYMETHYLPENT-1-ENE-4-ONE OR ESTER THEROF | BAYER AKTIENGESELLSCHAFT (DT) | 1978-01-17 | — | — | US | disclosed |