Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 2/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6860012 | 1.00 | TSHR (0.55) | TSHRTHRBFAAHTRPV1DNM1 | |
| SCHEMBL6861944 | 1.00 | TSHR (0.55) | TSHRTHRBFAAHTRPV1DNM1 | |
| SCHEMBL6860526 | 1.00 | — | — | |
| SCHEMBL974761 | 0.97 | — | — | |
| SCHEMBL6860666 | 0.88 | — | — | |
| SCHEMBL11288759 | 0.82 | TSHR (0.58) | TSHRTHRBFAAHTRPV1DNM1 | |
| SCHEMBL6127512 | 0.82 | TSHR (0.58) | TSHRTHRBFAAHTRPV1DNM1 | |
| SCHEMBL1174012 | 0.79 | TSHR (0.50) | TSHRTHRBFAAHTRPV1DNM1 | |
| SCHEMBL1174810 | 0.79 | TSHR (0.50) | TSHRTHRBFAAHTRPV1DNM1 | |
| SCHEMBL2869472 | 0.78 | TSHR (0.62) | TSHRTHRBFAAHTRPV1DNM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6794530-B1 | 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-21 | — | — | US | disclosed |
| EP-0934925-B1 | Process for the preparation of beta-alkoxy nitriles | BASF AG (DE) | 2002-09-25 | — | — | EP | disclosed |
| EP-0934925-A1 | Process for the preparation of beta-alkoxy nitriles | BASF AKTIENGESELLSCHAFT (DE) | 1999-08-11 | — | — | EP | disclosed |