Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | DGKA | P23743 | 2/20 | 0.54 |
| ▸ | PAM | P19021 | 2/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8744230 | 1.00 | TSHR (0.60) | TSHRDGKAPAMMGLLMAPT | |
| SCHEMBL30444260 | 0.94 | TSHR (0.55) | TSHRDGKAPAMMGLLMAPT | |
| SCHEMBL2035970 | 0.92 | TSHR (0.53) | TSHRDGKAPAMMGLLMAPT | |
| SCHEMBL1532671 | 0.92 | TSHR (0.53) | TSHRDGKAPAMMGLLMAPT | |
| SCHEMBL1771111 | 0.92 | TSHR (0.53) | TSHRDGKAPAMMGLLMAPT | |
| SCHEMBL9122870 | 0.91 | TSHR (0.56) | TSHRDGKAPAMMGLLMAPT | |
| SCHEMBL9122873 | 0.91 | TSHR (0.56) | TSHRDGKAPAMMGLLMAPT | |
| SCHEMBL27305264 | 0.89 | DGKA (0.59) | TSHRDGKAMGLLMAPTALDH1A1 | |
| SCHEMBL19260200 | 0.88 | TSHR (0.62) | TSHRDGKAPAMMGLLMAPT | |
| SCHEMBL16874352 | 0.88 | TSHR (0.62) | TSHRDGKAPAMMGLLMAPT |
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-0612720-B1 | Process for producing 1,4-dicyano-2-butene | SUMITOMO CHEMICAL CO (JP) | 1997-01-08 | — | — | EP | disclosed |
| US-5463103-A | Reacting butene derivative with hydrogen cyanide in presence of catalyst prepared from cuprous halide, lower alkylamine hydrohalide and Lewis acid or basic acetate, carbonate or bicarbonate | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1995-10-31 | — | — | US | disclosed |
| EP-0612720-A1 | Process for producing 1,4-dicyano-2-butene | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1994-08-31 | — | — | EP | disclosed |