Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.52 |
| ▸ | CTSS | P25774 | 3/20 | 0.52 |
| ▸ | CTSK | P43235 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TLR2 | O60603 | 2/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.47 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.47 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.46 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.46 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.46 |
| ▸ | SYK | P43405 | 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 | |
|---|---|---|---|---|
| SCHEMBL11636828 | 0.91 | CTSL (0.53) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL11638722 | 0.88 | ALDH1A1 (0.52) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL25879987 | 0.84 | ALDH1A1 (0.57) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL30016306 | 0.82 | CTSL (0.55) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL4325932 | 0.81 | CTRB1 (0.51) | CYP3A4CTSLCTSSCTSKATM | |
| SCHEMBL11633583 | 0.81 | CNR2 (0.45) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL22975021 | 0.81 | CTSL (0.57) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL28678129 | 0.81 | CTSL (0.57) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL7923871 | 0.80 | CTSL (0.51) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL18078250 | 0.80 | CTSL (0.51) | ALDH1A1CYP3A4TSHRMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4108854-A | Process for preparing substituted glycines | SMITHKLINE CORPORATION (US) | 1978-08-22 | — | — | US | disclosed |
| US-3997584-A | Substituted glycines and intermediates thereof | SMITHKLINE CORPORATION (US) | 1976-12-14 | — | — | US | disclosed |
| US-3994954-A | Process for preparing substituted glycines | SMITHKLINE CORPORATION (US) | 1976-11-30 | — | — | US | disclosed |