Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.52 |
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4417853 | 0.79 | AOC3 (0.48) | ALDH1A1HSD17B10AOC3CYP3A4 | |
| SCHEMBL28669933 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HPGDMEN1USP2 | |
| SCHEMBL29275406 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDMEN1USP2 | |
| SCHEMBL4916031 | 0.75 | ALDH1A1 (0.58) | ALDH1A1HSD17B10HPGDMEN1USP2 | |
| SCHEMBL30494604 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDMEN1USP2 | |
| SCHEMBL7915531 | 0.75 | ALDH1A1 (0.66) | ALDH1A1HSD17B10HPGDMEN1USP2 | |
| SCHEMBL27085550 | 0.74 | CYP3A4 (0.49) | ALDH1A1HSD17B10MEN1KMT2AKDM4E | |
| Iodide SCHEMBL27218977 | 0.73 | ALDH1A1 (0.64) | ALDH1A1HSD17B10HPGDMEN1USP2 | |
| SCHEMBL31020778 | 0.72 | RAB9A (0.55) | ALDH1A1HSD17B10HPGDMEN1USP2 | |
| SCHEMBL4891254 | 0.72 | RAB9A (0.55) | ALDH1A1HSD17B10HPGDMEN1USP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5498727-A | Preparation of benzindole compounds from naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-03-12 | — | — | US | claimed |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | claimed |
| WO-2010027280-A1 | NITROBENZINDOLES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2010-03-11 | — | — | WO | disclosed |