Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8663867 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL8679600 | 1.00 | — | — | |
| SCHEMBL16161159 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL10926007 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL8130138 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL3679794 | 1.00 | — | — | |
| SCHEMBL223119 | 0.97 | — | — | |
| SCHEMBL7204597 | 0.88 | ALDH1A1 (0.39) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 | |
| SCHEMBL103284 | 0.87 | — | — | |
| SCHEMBL5898604 | 0.85 | CYP1A2 (0.35) | CYP1A2CYP2D6MAPTCYP2C9CYP2C19 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105859529-B | Method for producing asymmetric conjugated diyne compound and method for producing Z, Z-conjugated diene compound using the same | 信越化学工业株式会社 | 2020-10-16 | — | — | CN | disclosed |
| EP-3053906-B1 | METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME | SHINETSU CHEMICAL CO (JP) | 2017-12-27 | — | — | EP | disclosed |
| US-9845304-B2 | Method for producing asymmetric conjugated diyne compound and method for producing Z,Z-conjugated diene compound using the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2017-12-19 | — | — | US | disclosed |
| US-20160229829-A1 | Method for Producing Asymmetric Conjugated Diyne Compound and Method for Producing Z,Z-Conjugated Diene Compound Using the Same | SHIN-ETSU CHEMICAL CO., LTD (JP) | 2016-08-11 | — | — | US | disclosed |
| EP-3053906-A1 | METHOD FOR PRODUCING ASYMMETRIC CONJUGATED DIYNE COMPOUND AND METHOD FOR PRODUCING Z,Z-CONJUGATED DIENE COMPOUND USING THE SAME | Shin-Etsu Chemical Co., Ltd. (JP) | 2016-08-10 | — | — | EP | disclosed |
| US-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5728908-A | Process for preparing a bridged ligand and said bridged ligand | PHILLIPS PETROLEUM COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | disclosed |