Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.55 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.55 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.55 |
| ▸ | LIPE | Q05469 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14890641 | 0.88 | LIPE (0.62) | LIPENPC1RAB9AALDH1A1KMT2A | |
| SCHEMBL14907137 | 0.86 | LIPE (0.55) | NOD1LIPENPC1RAB9AALDH1A1 | |
| SCHEMBL14907228 | 0.86 | LIPE (0.66) | TNFNOD2NOD1LIPEALDH1A1 | |
| SCHEMBL16238884 | 0.83 | LIPE (0.51) | LIPEHDAC6MAPT | |
| SCHEMBL16239253 | 0.82 | NPC1 (0.55) | TNFNOD2NOD1LIPENPC1 | |
| SCHEMBL14890633 | 0.82 | LIPE (0.73) | TNFNOD2NOD1LIPENPC1 | |
| SCHEMBL20854509 | 0.80 | AKR1C3 (0.43) | TNFNOD2NOD1ALDH1A1GAA | |
| SCHEMBL16251376 | 0.80 | LIPE (0.50) | TNFNOD2NOD1LIPENPC1 | |
| SCHEMBL7550712 | 0.80 | LIPE (0.80) | LIPENPC1RAB9AGAAMAPT | |
| Benzenesulfonamide SCHEMBL16238901 | 0.79 | CA1 (0.56) | LIPEALDH1A1GAAHPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-8889713-B1 | N-substituted tetrahydroisoquinoline benzamides/benzene sulfonamides as anti-cancer agents | FLORIDA A&M UNIVERSITY (US) | 2014-11-18 | — | — | US | disclosed |
| US-8889713-B1 | N-substituted tetrahydroisoquinoline benzamides/benzene sulfonamides as anti-cancer agents | FLORIDA A&M UNIVERSITY (US) | 2014-11-18 | — | — | US | disclosed |