Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.45 |
| ▸ | TSHR | P16473 | 7/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205027 | 0.92 | ALDH1A1 (0.40) | ESR1TSHRTDP1ALDH1A1KDM4E | |
| SCHEMBL31634600 | 0.88 | ALDH1A1 (0.47) | TDP1L3MBTL1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL7380990 | 0.88 | ALDH1A1 (0.47) | TDP1L3MBTL1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL7383445 | 0.79 | CYP3A4 (0.42) | TSHRTDP1ALDH1A1KDM4EMEN1 | |
| SCHEMBL11353384 | 0.76 | TSHR (0.44) | TSHRL3MBTL1ALDH1A1KDM4EMEN1 | |
| SCHEMBL11198525 | 0.74 | ALDH1A1 (0.42) | TDP1L3MBTL1ALDH1A1KDM4EKMT2A | |
| SCHEMBL8490613 | 0.73 | ESR1 (0.58) | ESR1TSHRTDP1L3MBTL1ALDH1A1 | |
| SCHEMBL28125999 | 0.72 | THRB (0.42) | ESR1TSHRALDH1A1KDM4EMAPK1 | |
| SCHEMBL11199103 | 0.72 | ESR1 (0.48) | ESR1TSHRTDP1L3MBTL1ALDH1A1 | |
| SCHEMBL11347399 | 0.72 | ALDH1A1 (0.51) | ESR1TSHRTDP1L3MBTL1ALDH1A1 |
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-0086438-A1 | Process and intermediates for preparing 4-hydroxymethyl-1-phthalazone derivatives | Nippon Kayaku Kabushiki Kaisha (JP) | 1983-08-24 | — | — | EP | disclosed |