Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | F13A1 | P00488 | 1/20 | 0.30 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
| ▸ | TGM1 | P22735 | 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 | |
|---|---|---|---|---|
| SCHEMBL14837774 | 0.80 | TGM2 (0.48) | F13A1TGM2TGM1 | |
| SCHEMBL27823501 | 0.74 | ALDH1A1 (0.51) | ALDH1A1 | |
| SCHEMBL27974004 | 0.71 | — | — | |
| SCHEMBL27623657 | 0.71 | POLB (0.40) | ALDH1A1 | |
| SCHEMBL28016518 | 0.67 | EPHX2 (0.36) | — | |
| SCHEMBL27596966 | 0.66 | CTSK (0.35) | — | |
| SCHEMBL27932514 | 0.63 | CYP1A2 (0.38) | ALDH1A1ALOX15 | |
| SCHEMBL8431323 | 0.63 | HPGD (0.33) | ALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL27716048 | 0.62 | SMN1; SMN2 (0.48) | ALDH1A1 | |
| SCHEMBL27849882 | 0.62 | GNAI3 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103096893-A | Glycine transporter-1 inhibitors, methods of making them, and uses thereof | ALBANY MOLECULAR RES INC | 2013-05-08 | — | — | CN | disclosed |