Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.46 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11287408 | 0.82 | ADORA3 (0.53) | ADORA3BRD4ALDH1A1HSD17B10KDM4E | |
| SCHEMBL11544944 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPC1GAASMN1; SMN2 | |
| SCHEMBL11471421 | 0.77 | ADORA3 (0.55) | ADORA3BRD4ALDH1A1HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL11473024 | 0.76 | ADORA3 (0.54) | ADORA3BRD4ALDH1A1HSD17B10KDM4E | |
| SCHEMBL18304807 | 0.74 | KMT2A (0.58) | ADORA3BRD4ALDH1A1HSD17B10KDM4E | |
| SCHEMBL11526295 | 0.72 | HCAR2 (0.46) | ALDH1A1HSD17B10KDM4ECYP1A2CYP2C19 | |
| SCHEMBL31571961 | 0.72 | HPGD (0.53) | ADORA3ALDH1A1HSD17B10KDM4EGAA | |
| SCHEMBL22204559 | 0.71 | ADORA3 (0.46) | ADORA3ALDH1A1HSD17B10KDM4ENPC1 | |
| SCHEMBL20100070 | 0.70 | ADORA3 (0.58) | ADORA3BRD4ALDH1A1HSD17B10KDM4E | |
| SCHEMBL3768295 | 0.70 | ADORA3 (0.58) | ADORA3BRD4HSD17B10KDM4ENPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4179561-A | REACTING A 3-DIAZOOXINDOLE WITH A SUBSTITUTED ACETYLENE | E. R. SQUIBB & SONS, INC. (US) | 1979-12-18 | — | — | US | disclosed |
| US-4112096-A | ANTIALLERGENS | E. R. SQUIBB & SONS, INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4076818-A | ANTIALLERGENS | E. R. SQUIBB & SONS, INC. (US) | 1978-02-28 | — | — | US | disclosed |