Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL28291031 | 0.81 | FABP1 (0.42) | CYP1A2CYP2D6ALDH1A1LTA4HPOLB | |
| SCHEMBL5361875 | 0.76 | CYP1A2 (0.75) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL2861457 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL4903414 | 0.76 | IDO1 (0.46) | ALDH1A1CHRM2POLBTDP1KDM4E | |
| SCHEMBL4675392 | 0.75 | CHRNB2 (0.57) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| Hydrochloric Acid SCHEMBL6121350 | 0.74 | CYP1A2 (0.95) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL10054984 | 0.72 | CYP1A2 (0.91) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL1629085 | 0.72 | — | — | |
| SCHEMBL19031318 | 0.72 | CYP1A2 (0.83) | CYP1A2CYP2D6ALDH1A1LTA4HCHRM2 | |
| SCHEMBL2313650 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5859042-A | ALOPECIA, ACNE, DISEASES OF THE PROSTATE GLANDS | ONO PHARMACEUTICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | disclosed |