Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | XBP1 | P17861 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | VCP | P55072 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5084713 | 1.00 | CES2 (0.53) | CES2CES1LMNARAB9ANPC1 | |
| SCHEMBL5084711 | 1.00 | CES2 (0.53) | CES2CES1LMNARAB9ANPC1 | |
| Ethane SCHEMBL5679245 | 0.89 | ALDH1A1 (0.51) | CES2CES1LMNARAB9ANPC1 | |
| Water SCHEMBL11778081 | 0.89 | ALDH1A1 (0.50) | CES2CES1LMNARAB9AKMT2A | |
| SCHEMBL269364 | 0.89 | ALDH1A1 (0.50) | CES2CES1LMNARAB9AKMT2A | |
| Ethylene SCHEMBL28481468 | 0.85 | ALDH1A1 (0.47) | CES2CES1LMNARAB9AKMT2A | |
| Ethylene Glycol SCHEMBL28769259 | 0.82 | ALDH1A1 (0.47) | CES2CES1LMNARAB9AKMT2A | |
| SCHEMBL16443995 | 0.82 | CES2 (0.57) | CES2CES1LMNARAB9ANPC1 | |
| SCHEMBL16443996 | 0.82 | CES2 (0.57) | CES2CES1LMNARAB9ANPC1 | |
| SCHEMBL15805572 | 0.82 | CES2 (0.57) | CES2CES1LMNARAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008037604-A1 | NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF | UNIVERSITÀ DEGLI STUDI DI SIENA (IT) | 2008-04-03 | — | — | WO | disclosed |
| WO-2008037604-A1 | NOVEL POLYBENZOFULVENE DERIVATIVES, SYNTHESIS AND USES THEREOF | UNIVERSITÀ DEGLI STUDI DI SIENA (IT) | 2008-04-03 | — | — | WO | disclosed |