Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 7/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 7/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL27884210 | 0.82 | SMN1; SMN2 (0.57) | CA4NPC1ALDH1A1PTPN1RAB9A | |
| Anisole SCHEMBL27918275 | 0.81 | TSHR (0.50) | NPC1ALDH1A1PTPN1RAB9AKMT2A | |
| Toluene SCHEMBL28986124 | 0.79 | MEN1 (0.50) | NPC1CES2CES1ALDH1A1CNR1 | |
| Anisole SCHEMBL28286713 | 0.79 | CA4 (0.64) | CA4NPC1CES2CES1ALDH1A1 | |
| Anisole SCHEMBL7429921 | 0.79 | CA4 (0.64) | CA4NPC1CES2CES1ALDH1A1 | |
| Naphthalene SCHEMBL28037925 | 0.79 | RAB9A (0.50) | NPC1ALDH1A1CNR2NPSR1RAB9A | |
| Anisole SCHEMBL4965675 | 0.79 | CA4 (0.78) | CA4NPC1CES2CES1ALDH1A1 | |
| Anisole SCHEMBL5864971 | 0.79 | CA4 (0.78) | CA4NPC1CES2CES1ALDH1A1 | |
| Benzene SCHEMBL27996687 | 0.78 | CYP2D6 (0.43) | NPC1ALDH1A1RAB9AKMT2AGAA | |
| Anisole SCHEMBL2363591 | 0.78 | CA4 (0.61) | CA4NPC1CES2CES1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104583196-B | The method that 1,4-dibasic pyridazine analog and treatment lack relevant disease to SMN | 诺华股份有限公司 | 2016-10-12 | — | — | CN | disclosed |
| CN-104583196-A | 1,4-disubstituted pyridazine analogs and methods for treating SMN-deficiency-related conditions | NOVARTIS AG | 2015-04-29 | — | — | CN | disclosed |