Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 3/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5095637 | 0.81 | HTR6 (0.57) | HTR6RAB9ARXRA | |
| SCHEMBL28390633 | 0.78 | RAB9A (0.41) | MAPTCYP3A4P2RX4NTRK1ALDH1A1 | |
| Dimethylamine SCHEMBL5095643 | 0.74 | PTPN1 (0.39) | MAPTCYP3A4NTRK1ALDH1A1HTR6 | |
| SCHEMBL28395635 | 0.72 | KDM4E (0.47) | P2RX4NTRK1ALDH1A1RAB9AHPGD | |
| SCHEMBL28393409 | 0.72 | RAB9A (0.49) | MAPTCYP3A4NTRK1ALDH1A1RAB9A | |
| SCHEMBL5094769 | 0.71 | RXRA (0.39) | ALDH1A1HTR6RAB9ARXRAKDM4E | |
| SCHEMBL5094719 | 0.70 | TACR1 (0.52) | MAPTALDH1A1HTR6KMT2ARXRA | |
| SCHEMBL5089907 | 0.69 | HTR6 (0.44) | MAPTNTRK1HTR6CYP1A2CYP2D6 | |
| SCHEMBL5094690 | 0.69 | HTR6 (0.44) | MAPTHTR6 | |
| SCHEMBL5101411 | 0.69 | RXRA (0.45) | MAPTHTR6SMN1; SMN2RXRA |
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 |
|---|---|---|---|---|---|---|---|
| JP-2042078-A | — | — | None | — | — | JP | disclosed |
| JP-H0242078-A | CONDENSED HETEROCYCLIC COMPOUND | TAKEDA CHEM IND LTD | 1990-02-13 | — | — | JP | disclosed |