Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.48 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21899911 | 0.92 | CYP11B1 (0.54) | CYP2A6SIGMAR1CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL12797257 | 0.88 | SIGMAR1 (0.61) | CYP2A6SIGMAR1CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL7343370 | 0.85 | CYP1A2 (0.50) | CYP2A6SIGMAR1CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL11265173 | 0.80 | SIGMAR1 (0.61) | CYP2A6SIGMAR1CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL8348679 | 0.79 | — | — | |
| SCHEMBL8419080 | 0.74 | SIGMAR1 (0.56) | CYP2A6SIGMAR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL20682524 | 0.73 | SIGMAR1 (0.95) | SIGMAR1CYP11B1CYP11B2CHRNB2CHRNA4 | |
| Ammonia Solution, Strong SCHEMBL28923744 | 0.72 | — | — | |
| 5,6,7,8-Tetrahydroisoquinoline SCHEMBL28211 | 0.70 | SIGMAR1 (1.00) | SIGMAR1CYP11B1CYP11B2CHRNB2CHRNA4 | |
| SCHEMBL29518090 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114133389-B | Process for preparing isoindolin-1-one fused rings and analogues thereof | 海南梵圣生物科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-114133389-A | Process for preparing isoindolin-1-one fused rings and analogues thereof | 海南梵圣生物科技有限公司 | 2022-03-04 | — | — | CN | disclosed |
| US-4468400-A | PEPTIC ULCERS | SCHERING CORPORATION (US) | 1984-08-28 | — | — | US | disclosed |