Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7698761 | 0.87 | ALDH1A1 (0.51) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7697885 | 0.86 | MTNR1A (0.44) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7693001 | 0.82 | AKR1C2 (0.49) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7699984 | 0.80 | TRPC5 (0.42) | ALDH1A1TSHRLMNAPOLBGAA | |
| SCHEMBL7693551 | 0.75 | MDM4 (0.38) | ALDH1A1LMNAPOLBGAAKMT2A | |
| SCHEMBL7698626 | 0.74 | GAA (0.49) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL27554752 | 0.73 | RAB9A (0.51) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7694495 | 0.73 | HSP90AA1 (0.44) | ALDH1A1MAPTCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7931226 | 0.73 | MME (0.40) | CYP1A2PTPN5 | |
| SCHEMBL7699710 | 0.72 | AKR1C2 (0.46) | ALDH1A1MAPTCYP1A2CYP3A4CYP2C19 |
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-2002020478-A1 | N-BENZYLINDOLE-3-ACETIC ACID DERIVATIVES FOR USE IN THE TREATMENT OF DRUG RESISTAN CANCER | DUBLIN CITY UNIVERSITY (IE) | 2002-03-14 | — | — | WO | disclosed |