Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.39 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.39 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.39 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL27286352 | 0.97 | TSHR (0.65) | TSHRCYP1A2TP53LMNACYP2A6 | |
| Chlorobenzene SCHEMBL5593265 | 0.90 | TSHR (0.73) | TSHRCYP1A2TP53LMNACYP2A6 | |
| Chlorobenzene SCHEMBL11508402 | 0.88 | TSHR (0.69) | TSHRCYP1A2TP53LMNACYP2A6 | |
| Chlorobenzene SCHEMBL947510 | 0.87 | TSHR (0.79) | TSHRCYP1A2LMNACYP2A6SIGMAR1 | |
| Chlorobenzene SCHEMBL28243552 | 0.85 | TSHR (0.65) | TSHRCYP1A2TP53LMNACYP2A6 | |
| Chlorobenzene SCHEMBL27512831 | 0.85 | TSHR (0.65) | TSHRCYP1A2TP53LMNACYP2A6 | |
| Chlorobenzene SCHEMBL5966284 | 0.85 | TSHR (0.65) | TSHRCYP1A2TP53LMNACYP2A6 | |
| Chlorobenzene SCHEMBL27437213 | 0.85 | TSHR (0.65) | TSHRCYP1A2TP53LMNACYP2A6 | |
| Chlorobenzene SCHEMBL28063800 | 0.85 | TSHR (0.65) | TSHRCYP1A2TP53LMNACYP2A6 | |
| Chlorobenzene SCHEMBL5038205 | 0.84 | TSHR (0.73) | TSHRCYP1A2LMNACYP2A6SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101328110-A | Preparation of butoconazole nitrate intermediate | BEIJING D VENTURE PHARM TECH (CN) | 2008-12-24 | — | — | CN | claimed |
| CN-101328110-B | Preparation of butoconazole nitrate intermediate | BEIJING DVENTUREPHARM TECHNOLOGY DEV CO LTD | 2014-02-05 | — | — | CN | disclosed |
| CN-101328110-A | Preparation of butoconazole nitrate intermediate | BEIJING D VENTURE PHARM TECH (CN) | 2008-12-24 | — | — | CN | disclosed |