Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10739309 | 0.90 | HPGD (0.54) | HPGDTDP1LMNANPC1ALDH1A1 | |
| SCHEMBL6158283 | 0.87 | LMNA (0.46) | HPGDTDP1OPRM1OPRD1ELANE | |
| SCHEMBL9402674 | 0.85 | NPC1 (0.42) | HPGDTDP1LMNANPC1ALDH1A1 | |
| SCHEMBL15601943 | 0.83 | CYP4F2 (0.51) | HPGDTDP1LMNANPC1SMN1; SMN2 | |
| SCHEMBL1520451 | 0.80 | HPGD (0.67) | HPGDTDP1OPRM1OPRD1LMNA | |
| SCHEMBL10735855 | 0.80 | CA12 (0.47) | HPGDLMNANPC1POLBALDH1A1 | |
| SCHEMBL9402668 | 0.79 | KMT2A (0.56) | OPRM1OPRD1LMNAALDH1A1KDM4E | |
| SCHEMBL21821613 | 0.78 | ALDH1A1 (0.49) | HPGDTDP1NPC1ALDH1A1SMN1; SMN2 | |
| SCHEMBL13249005 | 0.78 | KDM4E (0.50) | ELANELMNANPC1MITFPOLB | |
| SCHEMBL133366 | 0.77 | LMNA (0.62) | ELANELMNANPC1ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5298652-A | N-substituted glycines, inhibitors of phospholipase A2 | HOFFMANN-LA ROCHE INC. (US) | 1994-03-29 | — | — | US | disclosed |