Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | GBA1 | P04062 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PARG | Q86W56 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1722693 | 0.83 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2KMT2APKM | |
| SCHEMBL1724175 | 0.81 | CA12 (0.38) | ALDH1A1SMN1; SMN2KMT2AMEN1CA1 | |
| SCHEMBL3130734 | 0.76 | TSHR (0.41) | KMT2AMEN1 | |
| SCHEMBL8396377 | 0.74 | GBA1 (0.83) | ALDH1A1SMN1; SMN2GBA1KMT2APARG | |
| SCHEMBL7886816 | 0.74 | GBA1 (0.83) | ALDH1A1SMN1; SMN2GBA1KMT2APARG | |
| SCHEMBL1722470 | 0.74 | MCOLN3 (0.68) | ALDH1A1SMN1; SMN2KMT2AHTR2CMEN1 | |
| SCHEMBL8394068 | 0.73 | GBA1 (0.86) | ALDH1A1SMN1; SMN2GBA1KMT2APARG | |
| SCHEMBL5032619 | 0.71 | GBA1 (0.66) | ALDH1A1SMN1; SMN2GBA1PARGPKM | |
| SCHEMBL2151158 | 0.71 | BRD4 (0.42) | KMT2A | |
| SCHEMBL23052424 | 0.70 | NPY5R (0.69) | ALDH1A1SMN1; SMN2GBA1KMT2APARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-2344451-A2 | SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS | Acucela, Inc. (US) | 2011-07-20 | — | — | EP | disclosed |
| WO-2010028088-A2 | SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS | ACUCELA, INC. (US) | 2010-03-11 | — | — | WO | disclosed |