Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.33 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.33 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20177548 | 1.00 | ADRA1A (0.42) | ADRA1ANPC1RAB9ACYP1A2MAPT | |
| SCHEMBL20177610 | 0.87 | BRD4 (0.41) | ADRA1ANPC1RAB9ACYP1A2MAPT | |
| SCHEMBL20177535 | 0.87 | BRD4 (0.41) | ADRA1ANPC1RAB9ACYP1A2MAPT | |
| SCHEMBL20177590 | 0.70 | CYP1A2 (0.33) | NPC1RAB9ACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20177519 | 0.69 | KDM1A (0.38) | — | |
| SCHEMBL20177480 | 0.69 | FPR2 (0.31) | — | |
| SCHEMBL20177526 | 0.66 | FPR2 (0.46) | — | |
| SCHEMBL16846492 | 0.65 | SRD5A1 (0.46) | ADRA1ADRD2SRD5A1SMN1; SMN2SLC18A3 | |
| SCHEMBL25247362 | 0.59 | HTR3A (0.48) | CYP1A2MAPTCYP2C9DRD2SRD5A1 | |
| SCHEMBL22048337 | 0.59 | SRD5A1 (0.53) | ADRA1ADRD2SRD5A1HTR3A |
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-2018092916-A1 | NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE | 宇部興産株式会社 | 2018-05-24 | — | — | WO | disclosed |