Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
| ▸ | CASP1 | P29466 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CASP7 | P55210 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27321335 | 0.91 | ALDH1A1 (0.53) | TNFHSD17B10CASP1MAPTCASP7 | |
| SCHEMBL7849509 | 0.82 | TNF (0.48) | TNFMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7257350 | 0.82 | TP53 (0.43) | MEN1KMT2AGAAALDH1A1TP53 | |
| SCHEMBL9086485 | 0.81 | HSD17B10 (0.45) | TNFHSD17B10CASP1MAPTCASP7 | |
| SCHEMBL6446130 | 0.80 | TNF (0.46) | TNFHSD17B10CASP1MAPTCASP7 | |
| SCHEMBL6450587 | 0.80 | TNF (0.46) | TNFHSD17B10CASP1MAPTCASP7 | |
| SCHEMBL4915153 | 0.79 | ALDH1A1 (0.68) | HSD17B10MEN1KMT2AGAAALDH1A1 | |
| SCHEMBL4906389 | 0.79 | ALDH1A1 (0.68) | HSD17B10MEN1KMT2AGAAALDH1A1 | |
| SCHEMBL8006015 | 0.77 | HSD17B10 (0.72) | TNFHSD17B10CASP1MAPTCASP7 | |
| SCHEMBL523511 | 0.76 | PIN1 (0.68) | TNFHSD17B10CASP1MAPTCASP7 |
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-6306865-B1 | SYNTHASE INHIBITORS AND ANTITUMOR AGENTS | GLAXO WELLCOME INC. | 2001-10-23 | — | — | US | disclosed |
| CN-1049215-C | Process for preparing benzoquinazoline thymidylate synthase inhibitors | WELLOCOME FOUNDATION LTD (GB) | 2000-02-09 | — | — | CN | disclosed |