Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6508659 | 0.80 | P2RX7 (0.53) | KDM4ENPC1MAPK1RAB9AALDH1A1 | |
| SCHEMBL6509581 | 0.76 | KDM4E (0.50) | KDM4ENPC1MAPK1RAB9AALDH1A1 | |
| SCHEMBL31589777 | 0.69 | APLNR (0.51) | KDM4ENPC1THRBRAB9AALDH1A1 | |
| SCHEMBL31589618 | 0.68 | NNMT (0.50) | KDM4ENPC1THRBRAB9AALDH1A1 | |
| SCHEMBL930190 | 0.67 | KDM4E (0.51) | KDM4ENPC1RAB9AALDH1A1HTT | |
| SCHEMBL27202681 | 0.67 | PTGER1 (0.52) | SMN1; SMN2HTTMAPTL3MBTL1HDAC1 | |
| SCHEMBL5298396 | 0.66 | KDM4E (0.66) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL31434833 | 0.66 | KDM4E (0.66) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL10042096 | 0.65 | KDM4E (0.40) | KDM4EALDH1A1SMN1; SMN2HTTMAPT | |
| SCHEMBL14290550 | 0.64 | S1PR4 (0.53) | KDM4ENPC1MAPK1RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082866-A2 | SUBSTITUTED 1, 2, 4- TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS | PFIZER LIMITED (GB) | 2005-09-09 | — | — | WO | disclosed |