Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.40 |
| ▸ | PGR | P06401 | 3/20 | 0.40 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL29777912 | 0.81 | LOXL2 (0.64) | LOXL2MTNR1AMTNR1BKDM4EALDH1A1 | |
| SCHEMBL1442945 | 0.81 | LOXL2 (0.64) | LOXL2MTNR1AMTNR1BKDM4EALDH1A1 | |
| SCHEMBL27972946 | 0.80 | LOXL2 (0.45) | LOXL2MTNR1AMTNR1BCYP2D6CYP2A6 | |
| Hydrochloric Acid SCHEMBL6129294 | 0.79 | LOXL2 (0.62) | LOXL2MTNR1AMTNR1BKDM4EALDH1A1 | |
| 2-Methylindole SCHEMBL27918838 | 0.79 | CYP2A6 (0.46) | CYP2A6KDM4EALDH1A1MAPTHPGD | |
| Tert-Butyl Formate SCHEMBL28000206 | 0.79 | ALOX5 (0.40) | MTNR1AMTNR1BCYP2D6CYP2A6KDM4E | |
| SCHEMBL28236145 | 0.79 | LOXL2 (0.53) | LOXL2MTNR1AMTNR1BKDM4EALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28000196 | 0.75 | CYP2A6 (0.54) | CYP2D6CYP2A6KDM4EALDH1A1MAPT | |
| SCHEMBL28812467 | 0.72 | LOXL2 (0.53) | LOXL2MTNR1AMTNR1BCYP2A6OPRK1 | |
| Naphthalene SCHEMBL27817254 | 0.72 | TDP1 (0.65) | CYP2A6KDM4EALDH1A1MAPTHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104507926-A | Serine/threonine kinase inhibitors | ARRAY BIOPHARMA INC | 2015-04-08 | — | — | CN | disclosed |