Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | PAM | P19021 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.32 |
| ▸ | CYP4A11 | Q02928 | 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 | |
|---|---|---|---|---|
| SCHEMBL9674067 | 0.81 | RAB9A (0.49) | ALDH1A1RAB9AKMT2ACYP2C9NPC1 | |
| SCHEMBL9027791 | 0.79 | HSD11B1 (0.53) | ALDH1A1TP53KMT2ACYP1A2CYP2C9 | |
| SCHEMBL18598225 | 0.79 | HSD11B1 (0.53) | ALDH1A1TP53KMT2ACYP1A2CYP2C9 | |
| SCHEMBL3108116 | 0.79 | PAM (0.55) | ALDH1A1HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL3108113 | 0.79 | PAM (0.55) | ALDH1A1HDAC1HDAC8HDAC3HDAC4 | |
| SCHEMBL20079993 | 0.75 | NPC1 (0.39) | ALDH1A1HSD17B10TP53CYP4F2CYP4A11 | |
| SCHEMBL19687213 | 0.74 | ALDH1A1 (0.47) | ALDH1A1HSD17B10PAMTP53TSHR | |
| SCHEMBL18657175 | 0.74 | ALDH1A1 (0.39) | ALDH1A1HSD17B10PAMTP53TSHR | |
| SCHEMBL13306343 | 0.74 | MEN1 (0.52) | ALDH1A1MAPK1RAB9AKMT2ANPC1 | |
| SCHEMBL19415817 | 0.73 | GLA (0.59) | ALDH1A1HSD17B10F3CYP1A2HSD17B3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2751076-B1 | SYNTHESIS METHOD AND INTERMEDIATES USEFUL IN THE PREPARATION OF PYRROLOBENZODIAZEPINES | MEDIMMUNE LTD (GB) | 2018-04-25 | — | — | EP | disclosed |