Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CCL2 | P13500 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL194747 | 0.98 | HTR2A (0.38) | HTR2AHTR6SIGMAR1BRD4CCL2 | |
| SCHEMBL28172823 | 0.86 | SIGMAR1 (0.32) | HTR2AHTR6SIGMAR1 | |
| SCHEMBL28963412 | 0.79 | HTR6 (0.33) | HTR2AHTR6SIGMAR1BRD4CCL2 | |
| SCHEMBL2514740 | 0.78 | HTR2A (0.35) | HTR2AHTR6BRD4CCL2CYP2D6 | |
| SCHEMBL547797 | 0.77 | ALDH1A1 (0.30) | CYP3A4HSD17B10ALDH1A1HPGD | |
| SCHEMBL2951329 | 0.77 | HTR2A (0.38) | HTR2AHTR6SIGMAR1BRD4CCL2 | |
| SCHEMBL29393845 | 0.77 | HTR2A (0.38) | HTR2AHTR6SIGMAR1BRD4CCL2 | |
| SCHEMBL2364504 | 0.77 | HTR2A (0.38) | HTR2AHTR6SIGMAR1BRD4CCL2 | |
| SCHEMBL9370624 | 0.77 | HTR2A (0.38) | HTR2AHTR6SIGMAR1BRD4CCL2 | |
| Hydrochloric Acid SCHEMBL8522504 | 0.75 | HTR2A (0.36) | HTR2AHTR6SIGMAR1BRD4CCL2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105622422-A | Bromohexahydro indanone compound and preparation method and application thereof | UNIV NANKAI | 2016-06-01 | — | — | CN | disclosed |