Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LNPEP | Q9UIQ6 | 3/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10527380 | 0.77 | OPRL1 (0.44) | NPC1MEN1TP53TSHRRAB9A | |
| SCHEMBL10525803 | 0.77 | CDK1 (0.33) | LNPEP | |
| SCHEMBL10528028 | 0.76 | ADRB2 (0.39) | TSHRALDH1A1GAAHTT | |
| SCHEMBL21711087 | 0.75 | UHRF1 (0.35) | — | |
| SCHEMBL10528162 | 0.74 | NPC1 (0.42) | NPC1MEN1TP53TSHRRAB9A | |
| SCHEMBL10525949 | 0.74 | SMN1; SMN2 (0.35) | TSHRRAB9ASMN1; SMN2LNPEPALDH1A1 | |
| SCHEMBL10529845 | 0.74 | RAB9A (0.38) | NPC1MEN1TP53TSHRRAB9A | |
| SCHEMBL10525897 | 0.73 | NPC1 (0.35) | NPC1MEN1TP53TSHRRAB9A | |
| SCHEMBL10528254 | 0.73 | OPRL1 (0.36) | NPC1MEN1TP53TSHRRAB9A | |
| SCHEMBL10529833 | 0.71 | TSHR (0.40) | NPC1MEN1TP53TSHRRAB9A |
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-0253681-A2 | Cycloalkyl-substituted 4-pyridyl derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1988-01-20 | — | — | EP | claimed |
| US-4797411-A | ANTITUMOR AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1989-01-10 | — | — | US | disclosed |
| EP-0253681-A2 | Cycloalkyl-substituted 4-pyridyl derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1988-01-20 | — | — | EP | disclosed |