Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 14/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 14/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 14/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1148083 | 0.77 | THRB (0.45) | TSHRTHRB | |
| SCHEMBL17589662 | 0.75 | THRB (0.37) | TSHRTHRBADRB2ADRB1ADRB3 | |
| SCHEMBL2033134 | 0.75 | THRB (0.40) | TSHRTHRB | |
| SCHEMBL20072386 | 0.74 | THRB (0.36) | TSHRTHRBADRB2ADRB1ADRB3 | |
| SCHEMBL28822899 | 0.74 | TSHR (0.45) | TSHRTHRBADRB2ADRB1ADRB3 | |
| SCHEMBL27887489 | 0.73 | TSHR (0.59) | TSHRTHRB | |
| SCHEMBL13225859 | 0.73 | THRB (0.49) | TSHRTHRB | |
| SCHEMBL774881 | 0.72 | RAB9A (0.53) | TSHR | |
| SCHEMBL2482514 | 0.72 | THRB (0.37) | TSHRTHRB | |
| SCHEMBL424444 | 0.72 | ALDH1A1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558441-A1 | PROCESS FOR PRODUCING ISOCYANATES | 3M Innovative Properties Company (US) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011130032-A1 | PROCESS FOR PRODUCING ISOCYANATES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2011-10-20 | — | — | WO | disclosed |