Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.50 |
| ▸ | MME | P08473 | 1/20 | 0.49 |
| ▸ | MMEL1 | Q495T6 | 1/20 | 0.49 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | ECE1 | P42892 | 1/20 | 0.44 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.43 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13005665 | 0.93 | MME (0.51) | CTRB1HDAC4HDAC6MMEMMEL1 | |
| SCHEMBL13005584 | 0.90 | KMT2A (0.51) | CTRB1HDAC4HDAC6ALDH1A1 | |
| SCHEMBL13061025 | 0.89 | CTRB1 (0.52) | CTRB1HDAC4HDAC6MMEMMEL1 | |
| SCHEMBL23116558 | 0.87 | CTRB1 (0.66) | CTRB1HDAC4HDAC6PIN1HDAC1 | |
| SCHEMBL10952300 | 0.87 | CTRB1 (0.66) | CTRB1HDAC4HDAC6PIN1HDAC1 | |
| SCHEMBL13005579 | 0.83 | KMT2A (0.47) | CTRB1MMEMMEL1CTSL | |
| SCHEMBL13060697 | 0.82 | MME (0.52) | CTRB1HDAC4HDAC6MMEMMEL1 | |
| SCHEMBL13005434 | 0.82 | HDAC4 (0.45) | HDAC4MMEMMEL1CTSLALDH1A1 | |
| SCHEMBL13005436 | 0.82 | HDAC4 (0.45) | HDAC4MMEMMEL1CTSLALDH1A1 | |
| SCHEMBL13005496 | 0.80 | MME (0.43) | CTRB1HDAC4HDAC6MMEMMEL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7851637-B2 | Compounds and methods for inhibiting the interaction of BCL proteins with binding partners | INFINITY PHARMACEUTICALS, INC. (US) | 2010-12-14 | — | — | US | disclosed |