Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 5/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7931191 | 0.88 | HDAC1 (0.35) | HDAC2HDAC1HDAC3CNR1PGR | |
| SCHEMBL7972143 | 0.87 | PGR (0.36) | HDAC2HDAC1KDM4EMAPTRAB9A | |
| SCHEMBL7969353 | 0.83 | SLC6A3 (0.40) | KDM4EMAPTRAB9ANPC1CASP3 | |
| SCHEMBL7931561 | 0.82 | SLC6A3 (0.45) | KDM4EMAPTLMNA | |
| SCHEMBL7969815 | 0.81 | HDAC1 (0.36) | HDAC2HDAC1MAPTHDAC3LMNA | |
| SCHEMBL7975083 | 0.80 | CA12 (0.39) | KDM4EMAPTRAB9AKMT2ALMNA | |
| SCHEMBL7934057 | 0.80 | SLC6A3 (0.40) | KDM4EMAPTRAB9ANPC1CASP3 | |
| SCHEMBL7969052 | 0.79 | CA12 (0.42) | KDM4ECNR1LMNACA12CA9 | |
| SCHEMBL7934122 | 0.79 | HSP90AA1 (0.34) | MAPTRAB9ACA12CA9CA2 | |
| SCHEMBL7934163 | 0.79 | KDM4E (0.45) | KDM4EMAPTRAB9ANPC1KMT2A |
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 |