Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.57 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28061900 | 0.89 | AKR1B1 (0.50) | MPOHSPA5TSHRCYP2D6HIF1A | |
| SCHEMBL8050377 | 0.77 | CYP11B1 (0.65) | CYP2D6KDM4E | |
| Bromide SCHEMBL10941970 | 0.75 | CYP11B1 (0.63) | CYP2D6KDM4E | |
| SCHEMBL9877189 | 0.74 | MPO (0.44) | MPOHSPA5TSHRCYP2D6HIF1A | |
| SCHEMBL10917974 | 0.74 | BRD4 (0.56) | MPOHSPA5TSHRCYP2D6HIF1A | |
| SCHEMBL11482473 | 0.73 | KDM4E (0.41) | KDM4E | |
| SCHEMBL3967782 | 0.73 | MPO (1.00) | MPOHSPA5TSHRCYP2D6HIF1A | |
| SCHEMBL28239176 | 0.73 | CYP2A13 (0.48) | TSHRKDM4ECA12CA2TAAR1 | |
| SCHEMBL10500678 | 0.73 | ALDH1A1 (0.52) | TSHRCYP2D6KDM4ETAAR1CYP2C19 | |
| SCHEMBL27383724 | 0.73 | CYP11B1 (0.61) | KDM4ETAAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103373995-B | A kind of method preparing Malaridine | SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) | 2016-04-27 | — | — | CN | claimed |
| CN-104557712-A | Preparation methods of aromatic hydroxylamine compound and N-aromatic acylated hydroxylamine compound | NUTRICHEM CO LTD | 2015-04-29 | — | — | CN | claimed |
| WO-2010005528-A2 | PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | WO | claimed |
| CN-103373995-B | A kind of method preparing Malaridine | SHANGHAI DESANO PHARMACEUTICAL CO.,LTD. (CN) | 2016-04-27 | — | — | CN | disclosed |
| CN-104557712-A | Preparation methods of aromatic hydroxylamine compound and N-aromatic acylated hydroxylamine compound | NUTRICHEM CO LTD | 2015-04-29 | — | — | CN | disclosed |
| WO-2010005528-A2 | PYRROLOPYRIDINE CARBOXYLIC ACID DERIVATIVES | IRONWOOD PHARMACEUTICALS INCORPORATED (US) | 2010-01-14 | — | — | WO | disclosed |