Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 10/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | ACP1 | P24666 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL20300747 | 0.91 | AR (0.38) | ARKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20301881 | 0.88 | AR (0.38) | ARKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20300854 | 0.87 | AR (0.38) | ARKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20301183 | 0.86 | PDK2 (0.34) | ARKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20301260 | 0.85 | NPC1 (0.39) | ARKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20300741 | 0.85 | PDK2 (0.33) | KDM4EPDK2TDP1ACP1ALDH1A1 | |
| SCHEMBL4514362 | 0.79 | TDP2 (0.38) | CYP1A2CNR1HPGDCYP2D6 | |
| SCHEMBL20301261 | 0.79 | AR (0.43) | ARKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20301474 | 0.75 | NPC1 (0.40) | ARKDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20300813 | 0.75 | HSD11B1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018116072-A1 | HETEROCYCLIC COMPOUNDS | PI INDUSTRIES LTD. (IN) | 2018-06-28 | — | — | WO | claimed |
| WO-2018116072-A1 | HETEROCYCLIC COMPOUNDS | PI INDUSTRIES LTD. (IN) | 2018-06-28 | — | — | WO | disclosed |