Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | KDR | P35968 | 1/20 | 0.58 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.57 |
| ▸ | MDM4 | O15151 | 1/20 | 0.57 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.57 |
| ▸ | ELANE | P08246 | 2/20 | 0.54 |
| ▸ | CDK2 | P24941 | 2/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.52 |
| ▸ | ITGB7 | P26010 | 3/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 1/20 | 0.52 |
| ▸ | TACR3 | P29371 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.49 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8279855 | 0.94 | TSHR (0.53) | TSHRKDRLNPEPMDM4MDM2 | |
| SCHEMBL8336881 | 0.93 | TSHR (0.60) | TSHRKDRLNPEPMDM4MDM2 | |
| SCHEMBL13940594 | 0.88 | KDR (0.56) | TSHRKDRLNPEPMDM4MDM2 | |
| SCHEMBL3988070 | 0.86 | ALDH1A1 (0.55) | ELANECNR1CNR2TACR3KDM4E | |
| SCHEMBL8334980 | 0.85 | ALDH1A1 (0.57) | ELANECNR1CNR2TACR3KDM4E | |
| SCHEMBL3975655 | 0.85 | KDR (0.62) | TSHRKDRLNPEPMDM4MDM2 | |
| SCHEMBL3975653 | 0.85 | KDR (0.62) | TSHRKDRLNPEPMDM4MDM2 | |
| SCHEMBL8334973 | 0.85 | TSHR (0.60) | TSHRKDRALDH1A1ERAP2ERAP1 | |
| SCHEMBL8337801 | 0.83 | L3MBTL1 (0.60) | ELANEITGB1ITGA4ITGB7KMT2A | |
| SCHEMBL13940590 | 0.83 | TSHR (0.56) | TSHRKDRLNPEPMDM4MDM2 |
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-2004101494-A1 | CALPAIN INHIBITORS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) | 2004-11-25 | — | — | WO | disclosed |