Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 4/20 | 0.32 |
| ▸ | CA9 | Q16790 | 4/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7931232 | 0.88 | HDAC2 (0.35) | HDAC1HDAC2HDAC3PGRCNR1 | |
| SCHEMBL7971803 | 0.88 | PGR (0.36) | HDAC1HDAC2HDAC3TNFRSF1APGR | |
| SCHEMBL7969815 | 0.84 | HDAC1 (0.36) | HDAC1HDAC2HDAC3TNFRSF1ACA12 | |
| SCHEMBL7975083 | 0.83 | CA12 (0.39) | CA12CA9CA2ALDH1A1POLB | |
| SCHEMBL7934057 | 0.81 | SLC6A3 (0.40) | CA12CA9IKBKBSMN1; SMN2ALDH1A1 | |
| SCHEMBL7969052 | 0.80 | CA12 (0.42) | CNR1CA12CA9SMN1; SMN2CA2 | |
| SCHEMBL7969353 | 0.80 | SLC6A3 (0.40) | CA12CA9TP53SMN1; SMN2CA2 | |
| SCHEMBL7934163 | 0.80 | KDM4E (0.45) | CA12CA9SMN1; SMN2CA2ALDH1A1 | |
| SCHEMBL7969661 | 0.79 | PTGDR2 (0.41) | CA12CA9CA2 | |
| SCHEMBL7934116 | 0.79 | CTSL (0.39) | CA12CA9SMN1; SMN2ALDH1A1POLB |
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 |