Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Pivalate SCHEMBL28120842 | 1.00 | TPMT (0.42) | TPMTKMT2AMAPTCYP2C19MEN1 | |
| Iodobenzene SCHEMBL28275244 | 0.88 | TPMT (0.41) | TPMTKMT2AMAPTCYP2C19MEN1 | |
| Iodobenzene SCHEMBL28324634 | 0.88 | ELANE (0.42) | TPMTKMT2AMAPTCYP2C19MEN1 | |
| Iodobenzene SCHEMBL27878636 | 0.81 | TPMT (0.48) | TPMTMAPTCYP3A4SMN1; SMN2ALDH1A1 | |
| Iodobenzene SCHEMBL27618758 | 0.81 | TPMT (0.48) | TPMTMAPTCYP3A4SMN1; SMN2ALDH1A1 | |
| Iodobenzene SCHEMBL318185 | 0.81 | TPMT (0.48) | TPMTMAPTCYP3A4SMN1; SMN2ALDH1A1 | |
| Iodobenzene SCHEMBL29444116 | 0.81 | TPMT (0.48) | TPMTMAPTCYP3A4SMN1; SMN2ALDH1A1 | |
| Iodobenzene SCHEMBL28221906 | 0.81 | TPMT (0.48) | TPMTMAPTCYP3A4SMN1; SMN2ALDH1A1 | |
| Iodobenzene SCHEMBL20943249 | 0.81 | TPMT (0.48) | TPMTMAPTCYP3A4SMN1; SMN2ALDH1A1 | |
| Iodobenzene SCHEMBL1286626 | 0.81 | TPMT (0.48) | TPMTMAPTCYP3A4SMN1; SMN2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115368297-A | Synthesis method of piperidine compound | 西南大学 | 2022-11-22 | — | — | CN | claimed |
| WO-2007132119-A1 | IN SITU OR ONE-POT HYDROGENATION AND REDUCTIVE AMINATION METHOD | PPG-SIPSY (FR) | 2007-11-22 | — | — | WO | claimed |
| CN-115368297-A | Synthesis method of piperidine compound | 西南大学 | 2022-11-22 | — | — | CN | disclosed |
| CN-109843846-B | Synthesis of bicyclo [2.2.2] octane | 伊士曼化工公司 | 2022-07-05 | — | — | CN | disclosed |
| WO-2007132119-A1 | IN SITU OR ONE-POT HYDROGENATION AND REDUCTIVE AMINATION METHOD | PPG-SIPSY (FR) | 2007-11-22 | — | — | WO | disclosed |