Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 3/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6847908 | 1.00 | CYP1A2 (0.43) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6852812 | 0.77 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL11836108 | 0.75 | HCAR2 (0.49) | CYP2C9NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL11836116 | 0.75 | HCAR2 (0.49) | CYP2C9NPC1RAB9AALDH1A1CYP3A4 | |
| SCHEMBL4059081 | 0.75 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6880753 | 0.75 | ALDH1A1 (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6880746 | 0.75 | ALDH1A1 (0.44) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6869769 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6869774 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL6869778 | 0.74 | CYP1A2 (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6825170-B2 | ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING | ORTHO-MCNEIL PHARMACEUTICAL, INC. | 2004-11-30 | — | — | US | disclosed |
| EP-1453847-A1 | 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003050132-A1 | 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2003-06-19 | — | — | WO | disclosed |