Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 8/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4617427 | 0.86 | KDM4E (0.55) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL8354904 | 0.86 | KDM4E (0.55) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL3052280 | 0.82 | KDM4E (0.57) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL4981224 | 0.82 | KDM4E (0.57) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL5692604 | 0.82 | KDM4E (0.57) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL7095755 | 0.82 | KDM4E (0.51) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL8203094 | 0.81 | KDM4E (0.55) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL13668748 | 0.78 | TACR3 (0.46) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL13451792 | 0.78 | TACR3 (0.46) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A | |
| SCHEMBL13451464 | 0.77 | KDM4E (0.48) | KDM4ESMN1; SMN2ALDH1A1TACR3PLA2G2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1337550-A2 | HEPATITIS C TRIPEPTIDE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002060926-A2 | HEPATITIS C TRIPEPTIDE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2002-08-08 | — | — | WO | disclosed |