Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.49 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | ACR | P10323 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28558841 | 0.86 | TSHR (0.68) | TSHRPOLBMAPTRAB9ANPC1 | |
| SCHEMBL10068534 | 0.82 | TSHR (0.61) | TSHRPOLBMAPTRAB9ANPC1 | |
| SCHEMBL16959134 | 0.82 | CYP4A11 (0.59) | CYP4F2CYP4A11POLBMAPTLOXL2 | |
| SCHEMBL3132629 | 0.82 | LMNA (0.62) | TSHRCYP4F2CYP4A11MAPTRAB9A | |
| SCHEMBL321816 | 0.81 | TSHR (0.59) | TSHRPOLBMAPTRAB9ANPC1 | |
| SCHEMBL6264503 | 0.81 | TSHR (0.59) | TSHRPOLBMAPTRAB9ANPC1 | |
| SCHEMBL2255610 | 0.80 | CA1 (0.48) | TSHRCYP4F2CYP4A11POLBRAB9A | |
| SCHEMBL31371222 | 0.80 | CA1 (0.48) | TSHRCYP4F2CYP4A11POLBRAB9A | |
| Methyl Benzoate SCHEMBL28229738 | 0.80 | TSHR (0.73) | TSHRCYP4F2CYP4A11MAPTRAB9A | |
| SCHEMBL7752770 | 0.79 | PRSS1 (0.66) | TSHRPOLBMAPTRAB9ANPC1 |
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-102958912-B | Benzohydrol derivatives, a preparation process and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2015-01-14 | — | — | CN | disclosed |
| CN-102958912-A | Benzohydrol derivatives, a preparation process and pharmaceutical use thereof | SHANGHAI HENGRUI PHARM CO LTD | 2013-03-06 | — | — | CN | disclosed |
| WO-2012019428-A1 | BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |