Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | XBP1 | P17861 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL6651272 | 0.92 | TYMS (0.47) | TYMSSMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL6649736 | 0.82 | TYMS (0.56) | TYMSSMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL8924144 | 0.82 | RAB9A (0.40) | TYMSSMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL6650303 | 0.76 | TYMS (0.58) | TYMSSMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL6455693 | 0.74 | TYMS (0.46) | TYMSSMN1; SMN2ALDH1A1HPGDMAPT | |
| SCHEMBL6650779 | 0.73 | TYMS (0.62) | TYMSSMN1; SMN2ALDH1A1HPGDMAPT | |
| SCHEMBL409745 | 0.72 | SMN1; SMN2 (0.44) | TYMSSMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL29850888 | 0.72 | SMN1; SMN2 (0.44) | TYMSSMN1; SMN2ALDH1A1HPGDLMNA | |
| SCHEMBL1369022 | 0.72 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1HPGDLMNARAB9A | |
| SCHEMBL6447534 | 0.71 | TYMS (0.56) | TYMSSMN1; SMN2ALDH1A1HPGDKDM4E |
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-5661155-A | THYMIDYLATE SYNTHASE INHIBITOR; ADMINISTERING TO THE MAMMAL SUFFERING FROM LEUKEMIA OR TUMOR 2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLINE-9-YL) METHYL)AMINO)-1-OXO-2-ISOINDOLINYL)GLUTARIC ACID OR SALTS | GLAXO WELLCOME INC. (US) | 1997-08-26 | — | — | US | disclosed |