Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL697895 | 0.86 | ADRB2 (0.50) | KMT2AMEN1ESR1ESR2TSHR | |
| SCHEMBL3063193 | 0.86 | ADRB2 (0.50) | KMT2AMEN1ESR1ESR2TSHR | |
| SCHEMBL30234873 | 0.86 | ADRB2 (0.50) | KMT2AMEN1ESR1ESR2TSHR | |
| SCHEMBL4331272 | 0.86 | ADRB2 (0.50) | KMT2AMEN1ESR1ESR2TSHR | |
| SCHEMBL6113326 | 0.85 | MEN1 (0.50) | KMT2AMEN1UTS2RATMESR1 | |
| SCHEMBL32667968 | 0.85 | MEN1 (0.50) | KMT2AMEN1UTS2RATMESR1 | |
| Water SCHEMBL9888404 | 0.84 | ADRB2 (0.49) | KMT2AMEN1ESR1ESR2TSHR | |
| SCHEMBL30929009 | 0.80 | KMT2A (0.50) | KMT2AMEN1UTS2RATMESR1 | |
| SCHEMBL7893551 | 0.80 | HSD17B10 (0.47) | KMT2AMEN1UTS2RATMESR1 | |
| SCHEMBL30426368 | 0.80 | HSD17B10 (0.47) | KMT2AMEN1UTS2RATMESR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020224633-A1 | UPADACITINIB SALT COMPOUND AND PREPARATION METHOD THEREFOR | 苏州鹏旭医药科技有限公司 | 2020-11-12 | — | — | WO | claimed |
| CN-103502231-A | Methods and compounds for the synthesis of fused aminodihydrothiazine derivatives | EISAI R&D MAN CO LTD | 2014-01-08 | — | — | CN | claimed |
| WO-2020224633-A1 | UPADACITINIB SALT COMPOUND AND PREPARATION METHOD THEREFOR | 苏州鹏旭医药科技有限公司 | 2020-11-12 | — | — | WO | disclosed |
| CN-103502231-A | Methods and compounds for the synthesis of fused aminodihydrothiazine derivatives | EISAI R&D MAN CO LTD | 2014-01-08 | — | — | CN | disclosed |