Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | APAF1 | O14727 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | S100A4 | P26447 | 2/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL8968657 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TDP1MAPTMAPK1NPC1 | |
| SCHEMBL14185148 | 0.87 | ALDH1A1 (0.50) | ALDH1A1TDP1MAPTMAPK1NPC1 | |
| SCHEMBL1126964 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPTMAPK1NPC1 | |
| SCHEMBL1126961 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TDP1MAPTMAPK1NPC1 | |
| SCHEMBL18842342 | 0.80 | HSD17B10 (0.50) | ALDH1A1TDP1MAPTMAPK1NPC1 | |
| SCHEMBL18816151 | 0.80 | HSD17B10 (0.50) | ALDH1A1TDP1MAPTMAPK1NPC1 | |
| SCHEMBL27955275 | 0.80 | TDP1 (0.59) | ALDH1A1TDP1MAPTNPC1RAB9A | |
| SCHEMBL18816134 | 0.79 | HSD17B10 (0.49) | ALDH1A1TDP1MAPTMAPK1NPC1 | |
| SCHEMBL18816155 | 0.78 | SIGMAR1 (0.45) | ALDH1A1TDP1MAPTMAPK1NPC1 | |
| SCHEMBL18816133 | 0.77 | ALDH1A1 (0.45) | ALDH1A1TDP1MAPTMAPK1NPC1 |
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-5578609-A | INHIBITORS OF DIHYDROOROTATE DEHYDROGENASE, ANTITUMOR, TREATMENT OF ORGAN REJECTION | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-11-26 | — | — | US | disclosed |
| US-5523408-A | USED FOR TREATMENT OR PREVENTION OF ORGAN TRANSPLANT REJECTION, GRAFT VERSUS HOST DISEASE, CHRONIC INFLAMMATORY DISEASES LIKE PSORIASIS, RHEUMATOID ARTHRITIS IN MAMMAL | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-06-04 | — | — | US | disclosed |