Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | EPOR | P19235 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5311815 | 0.79 | KDM4E (0.51) | ALDH1A1KDM4ETDP1HTTSMN1; SMN2 | |
| SCHEMBL9130824 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4ETDP1HTTSMN1; SMN2 | |
| SCHEMBL315315 | 0.78 | MAOB (0.52) | ALDH1A1TSHRMAOBCYP1A2CYP3A4 | |
| SCHEMBL1690360 | 0.77 | RIPK1 (0.51) | ALDH1A1KDM4ETDP1HTTSMN1; SMN2 | |
| SCHEMBL30083990 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1HTTSMN1; SMN2 | |
| SCHEMBL7806003 | 0.77 | ALDH1A1 (0.46) | ALDH1A1KDM4ETDP1HTTSMN1; SMN2 | |
| SCHEMBL11547165 | 0.77 | PTGES (0.48) | ALDH1A1KDM4ETDP1HTTSMN1; SMN2 | |
| SCHEMBL10446475 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1HTTSMN1; SMN2 | |
| SCHEMBL10446472 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KDM4ETDP1HTTSMN1; SMN2 | |
| SCHEMBL10433604 | 0.76 | MAPK14 (0.41) | ALDH1A1KDM4ETDP1HTTSMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-4997650-A | (Meth)acrylonitrile polymer | MITSUI TOATSU CHEMICALS, INC. (JP) | 1991-03-05 | — | — | US | disclosed |
| US-4818525-A | LONG-LASTING; ACRYLONITRILE COPOLYMER | MITSUI TOATSU CHEMICALS, INC. (JP) | 1989-04-04 | — | — | US | disclosed |