Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 3/20 | 0.55 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | ACHE | P22303 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.43 |
| ▸ | HRH1 | P35367 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | HEXA | P06865 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15900052 | 0.84 | ADORA1 (0.45) | TYMSBCHEACHEKDM4EALDH1A1 | |
| SCHEMBL6651001 | 0.78 | TYMS (0.59) | TYMS | |
| SCHEMBL8261591 | 0.78 | TYMS (0.59) | TYMSALDH1A1DHFRHEXAHEXB | |
| SCHEMBL6648263 | 0.71 | TYMS (1.00) | TYMS | |
| SCHEMBL1996652 | 0.71 | ADORA2A (0.47) | POLBHRH4ADORA1DHFRHEXA | |
| SCHEMBL8881804 | 0.69 | TYMS (0.55) | TYMSBCHEACHEKDM4EALDH1A1 | |
| SCHEMBL17610024 | 0.69 | ADORA1 (0.55) | TYMSBCHEACHEKDM4EALDH1A1 | |
| SCHEMBL4160584 | 0.68 | TYMS (0.50) | TYMSKDM4EALDH1A1POLBDYRK1A | |
| SCHEMBL14197519 | 0.67 | HRH4 (0.60) | BCHEACHEKDM4EALDH1A1POLB | |
| SCHEMBL19829403 | 0.67 | KDM4E (0.47) | TYMSBCHEACHEKDM4EALDH1A1 |
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-6762188-B1 | INHIBITING THYMIDYLATE SYNTHASE; COLON, BREAST OR LUNG CARCINOMA | SMITHKLINE BEECHAM CORPORATION | 2004-07-13 | — | — | US | disclosed |
| WO-1991019700-A1 | PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-26 | — | — | WO | disclosed |