Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2125383 | 0.80 | KDM4E (0.50) | NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL19333968 | 0.79 | CES2 (0.51) | NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL11732434 | 0.78 | KMT2A (0.53) | NPC1SMN1; SMN2ALDH1A1TSHRHTT | |
| SCHEMBL19334133 | 0.76 | CES2 (0.49) | NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL955532 | 0.76 | KDM4E (0.49) | NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL29703802 | 0.76 | KDM4E (0.49) | NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL16150533 | 0.75 | CHRNA1 (0.47) | KDM4ESMN1; SMN2ALDH1A1NPSR1TSHR | |
| SCHEMBL29692244 | 0.75 | PTPN1 (0.56) | NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL312900 | 0.75 | PTPN1 (0.56) | NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL28232657 | 0.75 | NPC1 (0.43) | NPC1KDM4ERAB9ASMN1; SMN2ALDH1A1 |
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-1507757-A1 | LACTAMS USED AS ANTI-VIRAL AGENTS | Bayer HealthCare AG (DE) | 2005-02-23 | — | — | EP | disclosed |
| WO-2003097595-A1 | LACTAMS USED AS ANTI-VIRAL AGENTS | BAYER HEALTHCARE AG (DE) | 2003-11-27 | — | — | WO | disclosed |