Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | BCHE | P06276 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ATP2A1 | O14983 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6361049 | 0.83 | TDP1 (0.53) | ALDH1A1BCHEMAPTACHESMN1; SMN2 | |
| SCHEMBL26843498 | 0.81 | TDP1 (0.46) | ALDH1A1BCHEMAPTACHESMN1; SMN2 | |
| SCHEMBL6360864 | 0.78 | MAPT (0.44) | ALDH1A1MAPTSMN1; SMN2KMT2ACYP1A2 | |
| SCHEMBL6361067 | 0.78 | MAPT (0.44) | ALDH1A1MAPTSMN1; SMN2KMT2ACYP1A2 | |
| SCHEMBL7483599 | 0.78 | MPO (0.38) | ALDH1A1MAPTSMN1; SMN2KMT2ACYP1A2 | |
| SCHEMBL23314173 | 0.74 | TDP1 (0.61) | ALDH1A1BCHEMAPTACHESMN1; SMN2 | |
| SCHEMBL29823265 | 0.74 | TDP1 (0.61) | ALDH1A1BCHEMAPTACHESMN1; SMN2 | |
| SCHEMBL13993599 | 0.67 | KDM4E (0.43) | ALDH1A1MAPTSMN1; SMN2KMT2ACYP3A4 | |
| SCHEMBL16501190 | 0.67 | TDP1 (0.46) | ALDH1A1MAPTKMT2AHPGDMEN1 | |
| SCHEMBL16125313 | 0.66 | TDP1 (0.51) | ALDH1A1BCHEMAPTACHESMN1; SMN2 |
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-1228045-A2 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2002-08-07 | — | — | EP | claimed |
| WO-2001032631-A2 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JEREY (US) | 2001-05-10 | — | — | WO | claimed |