Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLD1 | Q13393 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 8/20 | 0.43 |
| ▸ | HTR2B | P41595 | 8/20 | 0.43 |
| ▸ | HTR2A | P28223 | 6/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30531432 | 0.81 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL20141500 | 0.81 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL20129603 | 0.81 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL20129613 | 0.81 | PLD1 (0.54) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL10877701 | 0.80 | ALDH1A1 (0.47) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 | |
| Hydrochloric Acid SCHEMBL20141813 | 0.80 | PLD1 (0.53) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| Hydrochloric Acid SCHEMBL20141815 | 0.80 | PLD1 (0.53) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 | |
| SCHEMBL3319561 | 0.79 | PLD1 (0.51) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL27872676 | 0.79 | PLD1 (0.51) | PLD1ALDH1A1HSD17B10HPGDCYP1A2 | |
| SCHEMBL8145266 | 0.79 | SLC6A2 (0.48) | PLD1ALDH1A1HSD17B10HPGDCYP3A4 |
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-3630779-A1 | ANTIBIOTIC RESISTANCE BREAKERS | Kings College London (GB) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018220365-A1 | ANTIBIOTIC RESISTANCE BREAKERS | KING'S COLLEGE LONDON (GB) | 2018-12-06 | — | — | WO | disclosed |