Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL18822716 | 1.00 | USP2 (0.30) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL20969989 | 1.00 | USP2 (0.30) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL1665999 | 0.97 | — | — | |
| Bromide SCHEMBL3368037 | 0.94 | — | — | |
| SCHEMBL19868536 | 0.91 | — | — | |
| SCHEMBL8472794 | 0.84 | — | — | |
| SCHEMBL731089 | 0.84 | TSHR (0.33) | TSHR | |
| SCHEMBL3193842 | 0.83 | GRIN2D (0.34) | — | |
| Bromide SCHEMBL3366389 | 0.81 | — | — | |
| SCHEMBL9551519 | 0.80 | GRIN2D (0.36) | LMNATSHRBLM |
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 |
|---|---|---|---|---|---|---|---|
| US-11195597-B2 | Method and device for calculating acid dissociation constant, and program | FUJITSU LIMITED (JP) | 2021-12-07 | — | — | US | disclosed |
| US-20180121632-A1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LIMITED (JP) | 2018-05-03 | — | — | US | disclosed |