Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | XBP1 | P17861 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 7/20 | 0.54 |
| ▸ | CSF1R | P07333 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.51 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.49 |
| ▸ | TUBB | P07437 | 1/20 | 0.49 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.49 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.49 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9623085 | 0.83 | NPC1 (0.53) | ALDH1A1HPGDKDM4EMEN1HCRTR1 | |
| SCHEMBL9622456 | 0.83 | KDM4E (0.70) | ALDH1A1KDM4EMEN1HCRTR1MAPT | |
| SCHEMBL9622760 | 0.82 | ALDH1A1 (0.66) | ALDH1A1CYP1A2HPGDKDM4EMEN1 | |
| SCHEMBL7375694 | 0.79 | GABRA1 (0.74) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL5309810 | 0.79 | NR4A2 (0.72) | ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL4077176 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL8689527 | 0.79 | ALDH1A1 (0.69) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL8795558 | 0.78 | ALOX15 (0.68) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 | |
| SCHEMBL235046 | 0.77 | TSHR (0.60) | ALDH1A1ALOX15KDM4EMAPTKMT2A | |
| SCHEMBL1503892 | 0.77 | ALDH1A1 (0.66) | ALDH1A1CYP1A2HPGDXBP1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-5166204-A | ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME | TOYAMA CHEMICAL CO., LTD. (JP) | 1992-11-24 | — | — | US | disclosed |