Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.51 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | UBE2N | P61088 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TOP1 | P11387 | 2/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | QPCT | Q16769 | 1/20 | 0.36 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7090029 | 0.80 | ADORA2A (0.51) | ADORA1ADORA3ADORA2AMAPTNPC1 | |
| SCHEMBL7567751 | 0.75 | ADORA3 (0.49) | ADORA1ADORA3ADORA2AMAPTNPC1 | |
| SCHEMBL8889428 | 0.73 | METAP2 (0.50) | ADORA1ADORA3ADORA2AMETAP2MET | |
| SCHEMBL788965 | 0.72 | MAPT (0.41) | MAPTKDM4EPARP1QPCT | |
| SCHEMBL22380030 | 0.72 | MAPT (0.37) | MAPTRAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL23718064 | 0.69 | PARP1 (0.34) | MAPTPARP1 | |
| SCHEMBL3860255 | 0.69 | ADORA3 (0.46) | ADORA1ADORA3ADORA2AMAPTNPC1 | |
| SCHEMBL29127367 | 0.68 | PRKCI (0.44) | ADORA1ADORA3ADORA2AMETAP2MAPT | |
| SCHEMBL15093627 | 0.68 | ACLY (0.40) | RAB9ASMN1; SMN2KDM4EPARP1 | |
| SCHEMBL23098940 | 0.67 | ADORA1 (0.45) | ADORA1ADORA3ADORA2AMAPTNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997006144-A1 | 2-CARBOCYCLIC AND 2-HETEROCYCLIC QUINOLINE-4-CARBOXYLIC ACIDS AND SALTS THEREOF USEFUL AS IMMUNOSUPPRESSIVE AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-02-20 | — | — | WO | disclosed |
| 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 |