Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.58 |
| ▸ | LTA4H | P09960 | 2/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | GBA1 | P04062 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31090233 | 0.91 | KDM4E (0.62) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL7972793 | 0.85 | HRH3 (0.61) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL1020230 | 0.81 | HRH3 (0.58) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL2477011 | 0.79 | ESR1 (0.65) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL578271 | 0.79 | HRH3 (0.63) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL2772370 | 0.79 | LTA4H (0.55) | LTA4HKDM4ESMN1; SMN2CYP2D6TP53 | |
| SCHEMBL2413751 | 0.79 | LTA4H (0.55) | LTA4HKDM4ESMN1; SMN2CYP2D6MAPT | |
| SCHEMBL9773251 | 0.77 | HRH3 (0.61) | HRH3LTA4HKEAP1NFE2L2KDM4E | |
| SCHEMBL7934075 | 0.77 | MAPT (0.44) | LTA4HKDM4EMAPTRAB9A | |
| SCHEMBL14922323 | 0.76 | HRH3 (0.66) | HRH3LTA4HKEAP1NFE2L2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |