Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | USP2 | O75604 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.42 |
| ▸ | HBB | P68871 | 1/20 | 0.42 |
| ▸ | TNF | P01375 | 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 | |
|---|---|---|---|---|
| SCHEMBL27675206 | 0.82 | KDM4E (0.48) | KDM4ECHRM1LMNAMEN1KMT2A | |
| SCHEMBL27675220 | 0.82 | CA1 (0.49) | CA1CA2CA12CA9CHRM1 | |
| SCHEMBL27693495 | 0.81 | LMNA (0.49) | KDM4ENPC1RAB9ACHRM1LMNA | |
| SCHEMBL28768803 | 0.81 | CNR2 (0.51) | KDM4EUSP2NPC1RAB9ALMNA | |
| SCHEMBL27693502 | 0.81 | KDM4E (0.44) | KDM4ECHRM1LMNAMEN1KMT2A | |
| SCHEMBL27693559 | 0.80 | KDM4E (0.51) | KDM4ERAB9ACHRM1LMNAMEN1 | |
| SCHEMBL27693503 | 0.79 | CFTR (0.47) | KDM4ECHRM1LMNAALDH1A1HPGD | |
| SCHEMBL27693542 | 0.79 | CNR2 (0.45) | KDM4ELMNAKMT2AALDH1A1GAA | |
| SCHEMBL27693487 | 0.79 | LMNA (0.51) | KDM4EUSP2CHRM1LMNAMEN1 | |
| SCHEMBL28763089 | 0.78 | CFTR (0.48) | KDM4ECHRM1LMNAMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |