Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2047233 | 0.94 | TSHR (0.47) | TSHRCYP3A4TDP1TP53MAPK1 | |
| SCHEMBL508210 | 0.88 | MIF (0.43) | TSHRCYP3A4TDP1TP53MAPK1 | |
| SCHEMBL8401752 | 0.88 | MIF (0.43) | TSHRCYP3A4TDP1TP53MAPK1 | |
| SCHEMBL437747 | 0.87 | TSHR (0.47) | TSHRCYP3A4TDP1TP53MAPK1 | |
| SCHEMBL29516244 | 0.87 | TSHR (0.47) | TSHRCYP3A4TDP1TP53MAPK1 | |
| SCHEMBL508209 | 0.83 | MIF (0.46) | TSHRTDP1MAPK1CYP2C9POLB | |
| SCHEMBL159755 | 0.82 | ACHE (0.47) | TSHRTDP1MAPK1SMN1; SMN2CYP2C9 | |
| SCHEMBL14518105 | 0.78 | CYP3A4 (0.51) | TSHRCYP3A4TDP1TP53MAPK1 | |
| SCHEMBL12646532 | 0.77 | FTO (0.46) | TSHRCYP3A4TDP1TP53MAPK1 | |
| SCHEMBL9136636 | 0.77 | TSHR (0.43) | TSHRCYP3A4TDP1TP53MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2427428-A1 | O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF | BASF SE (DE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128062-A1 | O-IMINO-ISO-UREA COMPOUNDS AND POLYMERIZABLE COMPOSITIONS THEREOF | BASF SE (DE) | 2010-11-11 | — | — | WO | disclosed |
| EP-0028683-A1 | Antibiotic C-15003 PHO and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1981-05-20 | — | — | EP | disclosed |