Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 4/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10528156 | 1.00 | TP53 (0.50) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL9361405 | 1.00 | TP53 (0.50) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL9096083 | 1.00 | TP53 (0.50) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL3842009 | 1.00 | TP53 (0.50) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL9100085 | 0.98 | MAPT (0.51) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL3369604 | 0.92 | MAOA (0.53) | TP53MAPTTHRBTHRAMAOA | |
| SCHEMBL11569857 | 0.89 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL11567371 | 0.89 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL21575598 | 0.89 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 | |
| SCHEMBL21575599 | 0.89 | THRB (0.56) | THRBTHRAMAOAMAOBPLK1 |
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 |