Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.43 |
| ▸ | NPFFR1 | Q9GZQ6 | 2/20 | 0.40 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL40676 | 0.85 | ALDH1A1 (0.57) | ALDH1A1VCAM1NPFFR1NPFFR2HSD17B10 | |
| SCHEMBL16475651 | 0.81 | ALDH1A1 (0.53) | ALDH1A1VCAM1NPFFR1NPFFR2HSD17B10 | |
| SCHEMBL16381881 | 0.81 | ALDH1A1 (0.53) | ALDH1A1VCAM1NPFFR1NPFFR2HSD17B10 | |
| SCHEMBL11132179 | 0.79 | ALDH1A1 (0.50) | ALDH1A1VCAM1NPFFR1NPFFR2HSD17B10 | |
| Ethane SCHEMBL2153516 | 0.76 | ALDH1A1 (0.55) | ALDH1A1VCAM1NPFFR1NPFFR2HSD17B10 | |
| SCHEMBL18002824 | 0.75 | ALDH1A1 (0.46) | ALDH1A1VCAM1NPFFR1NPFFR2KIF11 | |
| SCHEMBL29417704 | 0.73 | ALDH1A1 (0.57) | ALDH1A1VCAM1NPFFR1NPFFR2HSD17B10 | |
| SCHEMBL472520 | 0.73 | ALDH1A1 (0.57) | ALDH1A1VCAM1NPFFR1NPFFR2HSD17B10 | |
| SCHEMBL11132181 | 0.73 | ALDH1A1 (0.52) | ALDH1A1VCAM1HSD17B10ALDH1A3KIF11 | |
| SCHEMBL17115582 | 0.71 | KIF11 (0.63) | ALDH1A1NPFFR1NPFFR2KIF11KDR |
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-2902030-B1 | Thienotriazolodiazepine compounds for treating neoplasia | DANA FARBER CANCER INST INC (US) | 2016-09-14 | — | — | EP | disclosed |
| EP-2902030-A1 | Thienotriazolodiazepine compounds for treating neoplasia | Dana-Farber Cancer Institute, Inc. (US) | 2015-08-05 | — | — | EP | disclosed |