Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15936938 | 0.83 | SLC7A5 (0.41) | ALDH1A1ATMMAPK1 | |
| SCHEMBL10308586 | 0.83 | SLC7A5 (0.41) | ALDH1A1ATMMAPK1 | |
| SCHEMBL16561709 | 0.81 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRLMNACYP1A2 | |
| SCHEMBL4586188 | 0.81 | ALDH1A1 (0.45) | ALDH1A1ATMTSHRLMNACYP1A2 | |
| SCHEMBL10513244 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TP53ATMTSHRLMNA | |
| SCHEMBL9730264 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TP53ATMTSHRLMNA | |
| SCHEMBL26789944 | 0.80 | CA1 (0.42) | ALDH1A1ATMTSHRLMNACYP1A2 | |
| SCHEMBL18078270 | 0.79 | NAAA (0.43) | ALDH1A1ATMTSHRLMNACYP1A2 | |
| SCHEMBL1109152 | 0.77 | S1PR1 (0.39) | ALDH1A1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL14224327 | 0.77 | S1PR1 (0.39) | ALDH1A1TSHRLMNACYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2331571-B1 | NMDA RECEPTOR MODULATORS AND USES THEREOF | UNIV NORTHWESTERN (US) | 2015-08-26 | — | — | EP | disclosed |