Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | CRHBP | P24387 | 2/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | ITGAL | P20701 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL29013919 | 0.80 | — | — | |
| Biphenyl SCHEMBL27994032 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2CRHBPCRHR2 | |
| Biphenyl SCHEMBL2642362 | 0.78 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2CRHBPCRHR2 | |
| Benzene SCHEMBL1051803 | 0.76 | ALDH1A1 (0.73) | ALDH1A1LMNASMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL28069 | 0.76 | — | — | |
| Biphenyl SCHEMBL27496289 | 0.76 | ALDH1A1 (0.50) | ALDH1A1LMNASMN1; SMN2CRHBPCRHR2 | |
| Naphthalene SCHEMBL10617947 | 0.75 | ALDH1A1 (0.50) | ALDH1A1LMNASMN1; SMN2CRHBPCRHR2 | |
| Toluene SCHEMBL190031 | 0.74 | LMNA (0.58) | ALDH1A1LMNASMN1; SMN2CRHBPCRHR2 | |
| Toluene SCHEMBL9640920 | 0.74 | LMNA (0.58) | ALDH1A1LMNASMN1; SMN2CRHBPCRHR2 | |
| Phenol SCHEMBL2161180 | 0.74 | CA12 (0.58) | ALDH1A1LMNASMN1; SMN2CRHBPCRHR2 |
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-117820122-A | Synthesis method of 2-fluoro-4-methyl-3-nitrobenzoic acid | 凯美克(上海)医药科技有限公司 | 2024-04-05 | — | — | CN | claimed |
| CN-117820122-A | Synthesis method of 2-fluoro-4-methyl-3-nitrobenzoic acid | 凯美克(上海)医药科技有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-114805029-A | Related substances of key intermediate of 25-hydroxy dihydro tachysterol and preparation method thereof | 上海医药工业研究院 | 2022-07-29 | — | — | CN | disclosed |
| CN-106554301-B | A kind of preparation method of saxagliptin key intermediate | 深圳翰宇药业股份有限公司 | 2018-09-21 | — | — | CN | disclosed |
| CN-107501201-A | A kind of spiral shell azole organic electroluminescent compounds and its organic electroluminescence device | 上海道亦化工科技有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107382992-A | A kind of carbazoles organic electroluminescent compounds and its organic electroluminescence device | 上海道亦化工科技有限公司 | 2017-11-24 | — | — | CN | disclosed |
| CN-106554301-A | A kind of preparation method of BMS-477118 key intermediate | 深圳翰宇药业股份有限公司 | 2017-04-05 | — | — | CN | disclosed |
| CN-102190681-A | Phosphoric butane derivative capable of generating tertiary carbon free radical and preparation method thereof | SHANGHAI MEILAIPO CHEMICALS CO LTD | 2011-09-21 | — | — | CN | disclosed |