Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 7/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7648550 | 0.80 | NPC1 (0.44) | HPGDALDH1A1RAB9ANPC1ATM | |
| SCHEMBL12753869 | 0.77 | HPGD (0.68) | HPGDALDH1A1POLBRAB9ANPC1 | |
| SCHEMBL18542950 | 0.73 | HPGD (0.66) | HPGDALDH1A1POLBRAB9ANPC1 | |
| SCHEMBL7650740 | 0.72 | HPGD (0.51) | HPGDPOLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7645749 | 0.71 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL8319802 | 0.71 | HPGD (0.72) | HPGDALDH1A1POLBRAB9ANPC1 | |
| SCHEMBL24646014 | 0.70 | HPGD (0.66) | HPGDALDH1A1POLBRAB9ANPC1 | |
| SCHEMBL10546402 | 0.70 | HPGD (0.70) | HPGDALDH1A1POLBRAB9ANPC1 | |
| SCHEMBL12057484 | 0.70 | POLB (0.60) | HPGDALDH1A1POLBRAB9ANPC1 | |
| SCHEMBL11704529 | 0.69 | HPGD (0.74) | HPGDALDH1A1POLBRAB9ANPC1 |
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-2002022137-A1 | β-LACTAM ANALOGS AND USES THEREFOR | SHOICHET BRIAN K (US) | 2002-03-21 | — | — | WO | disclosed |