Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | GABRD | O14764 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.55 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.55 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.55 |
| ▸ | PKLR | P30613 | 15/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16051041 | 0.87 | PKLR (0.58) | PKLR | |
| SCHEMBL12606646 | 0.80 | GABRD (0.65) | ALDH1A1GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL12082834 | 0.79 | GABRD (0.63) | ALDH1A1GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL15473398 | 0.79 | GABRD (0.63) | ALDH1A1GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL28023226 | 0.78 | PKLR (0.47) | PKLR | |
| SCHEMBL17572990 | 0.77 | GABRD (0.57) | ALDH1A1GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL17888347 | 0.76 | ALDH1A1 (0.53) | ALDH1A1GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL17888436 | 0.76 | ALDH1A1 (0.53) | ALDH1A1GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL4557193 | 0.76 | ALDH1A1 (0.84) | ALDH1A1GABRDGABRA1GABRB1GABRA5 | |
| SCHEMBL10726712 | 0.76 | ALDH1A1 (0.84) | ALDH1A1GABRDGABRA1GABRB1GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014139325-A1 | THERAPEUTIC COMPOUNDS AND COMPOSITIONS | AGIOS PHARMACEUTICALS, INC. (US) | 2014-09-18 | — | — | WO | disclosed |