Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Isopropylbenzene SCHEMBL28062049 | 0.87 | TYR (0.52) | TYRCYP2D6KDM4EMAPK1KMT2A | |
| Isopropylbenzene SCHEMBL3646130 | 0.87 | TYR (0.52) | TYRCYP2D6KDM4EMAPK1KMT2A | |
| Isopropylbenzene SCHEMBL27707501 | 0.85 | TYR (0.50) | TYRCYP2D6KDM4EMAPK1KMT2A | |
| Isopropylbenzene SCHEMBL28324070 | 0.85 | TYR (0.50) | TYRCYP2D6KDM4EMAPK1KMT2A | |
| Isopropylbenzene SCHEMBL28285501 | 0.85 | TYR (0.50) | TYRCYP2D6KDM4EMAPK1KMT2A | |
| Isopropylbenzene SCHEMBL9312427 | 0.84 | TYR (0.45) | TYRCYP2D6TSHRKDM4EMAPK1 | |
| Isopropylbenzene SCHEMBL28244072 | 0.84 | TSHR (0.50) | CYP2D6TSHRKDM4ETAAR1ALDH1A1 | |
| Isopropylbenzene SCHEMBL6568 | 0.84 | — | — | |
| Isopropylbenzene SCHEMBL87809 | 0.84 | TAAR1 (0.50) | CYP2D6TSHRKDM4ETAAR1ALDH1A1 | |
| Isopropylbenzene SCHEMBL8431863 | 0.84 | TAAR1 (0.50) | CYP2D6TSHRKDM4ETAAR1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104066724-A | P2X4 receptor antagonists | NIPPON CHEMIPHAR CO | 2014-09-24 | — | — | CN | disclosed |
| CN-100354265-C | Pharmaceutical compounds | XENOVA LTD (GB) | 2007-12-12 | — | — | CN | disclosed |
| CN-1050599-C | Preparation of 1,2-diacyl-2-(T-alkyl) hydrazines | ROHM & HAAS (US) | 2000-03-22 | — | — | CN | disclosed |
| CN-1030911-C | Dibenzoylalkylcyanohydrazines | ROHM & HAAS (US) | 1996-02-07 | — | — | CN | disclosed |
| CN-1109049-A | Preparation of 1,2-diacyl-2-(T-alkyl) hydrazines | ROHM & HAAS (US) | 1995-09-27 | — | — | CN | disclosed |
| CN-1057452-A | Dibenzoyl alkyl-alkyl cyanides | ROHM & HAAS (US) | 1992-01-01 | — | — | CN | disclosed |