Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7928360 | 0.90 | ALDH1A1 (0.46) | MAPTLMNAGAAJAK2CYP1A2 | |
| SCHEMBL7922097 | 0.84 | CYP1A2 (0.46) | MAPTLMNAGAAJAK2CYP1A2 | |
| SCHEMBL7931698 | 0.84 | L3MBTL1 (0.53) | MAPTGAACYP1A2CYP2C19L3MBTL1 | |
| SCHEMBL7928471 | 0.84 | L3MBTL1 (0.46) | MAPTLMNAGAAJAK2CYP1A2 | |
| 1,2-Dipropoxybenzene SCHEMBL578657 | 0.83 | CYP1A2 (0.56) | MAPTLMNAGAAJAK2CYP1A2 | |
| 1,2-Dipropoxybenzene SCHEMBL29428926 | 0.83 | CYP1A2 (0.56) | MAPTLMNAGAAJAK2CYP1A2 | |
| 1,2-Dipropoxybenzene SCHEMBL8910053 | 0.81 | CYP1A2 (0.54) | MAPTLMNAGAAJAK2CYP1A2 | |
| SCHEMBL29706601 | 0.78 | ENPP2 (0.44) | MAPTLMNAGAAJAK2NPC1 | |
| SCHEMBL6678412 | 0.78 | ENPP2 (0.44) | MAPTLMNAGAAJAK2NPC1 | |
| SCHEMBL1684575 | 0.78 | LIPE (0.59) | MAPTLMNAGAAJAK2CYP1A2 |
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 |