Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.58 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.58 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.58 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.58 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.56 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.56 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.56 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.56 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.56 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ACLY | P53396 | 1/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24015590 | 1.00 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL24015576 | 1.00 | CHRNB2 (0.58) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL12536836 | 0.84 | PSEN1 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL7563410 | 0.84 | PSEN1 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL25587628 | 0.83 | RIPK1 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL25587630 | 0.83 | RIPK1 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL25587656 | 0.83 | RIPK1 (0.52) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL6180588 | 0.83 | PSEN1 (0.74) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL6180584 | 0.83 | PSEN1 (0.74) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL15300976 | 0.83 | TRPA1 (0.51) | CHRNA7PSEN1PSEN2APH1BNCSTN |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023072974-A1 | TRICYCLIC HETEROCYCLES | MERCK PATENT GMBH (DE) | 2023-05-04 | — | — | WO | disclosed |
| WO-2021224291-A1 | TRICYCLIC HETEROCYCLES USEFUL AS TEAD BINDERS | MERCK PATENT GMBH (DE) | 2021-11-11 | — | — | WO | disclosed |