Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22272706 | 0.90 | KDM4E (0.43) | HPGDPOLBALDH1A1KDM4ECYP2D6 | |
| SCHEMBL18976237 | 0.89 | HCRTR1 (0.41) | ALDH1A1KDM4ECYP2D6CYP2C19RAB9A | |
| SCHEMBL31717615 | 0.89 | HCRTR1 (0.41) | ALDH1A1KDM4ECYP2D6CYP2C19RAB9A | |
| SCHEMBL3931727 | 0.79 | KDM4E (0.41) | POLBKDM4ENPC1LMNA | |
| SCHEMBL14072136 | 0.79 | KDM4E (0.41) | POLBKDM4ENPC1LMNA | |
| SCHEMBL18953095 | 0.79 | HCRTR1 (0.44) | POLBALDH1A1KDM4ECYP2D6CYP2C19 | |
| SCHEMBL20581205 | 0.79 | HCRTR1 (0.44) | POLBALDH1A1KDM4ECYP2D6CYP2C19 | |
| SCHEMBL20975309 | 0.78 | KDM4E (0.43) | POLBALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL20975307 | 0.78 | KDM4E (0.43) | POLBALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL21000134 | 0.78 | FKBP1A (0.43) | POLBKDM4EKMT2ANPC1RAB9A |
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-2017098257-A1 | PBD ANTIBACTERIAL AGENTS | KING'S COLLEGE LONDON (GB) | 2017-06-15 | — | — | WO | disclosed |