Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMP | P19971 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27985279 | 0.79 | MAPK1 (0.40) | TYMPMAPTALDH1A1NPC1PKM | |
| SCHEMBL797826 | 0.78 | TNKS (0.40) | TYMPMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL12581386 | 0.76 | ALDH1A1 (0.50) | TYMPMAPTALDH1A1KDM4ENPC1 | |
| SCHEMBL29724664 | 0.74 | CYP11B1 (0.45) | MAPTALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL535698 | 0.74 | CYP11B1 (0.45) | MAPTALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL6647087 | 0.74 | NISCH (0.48) | TYMPMAPTNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL156929 | 0.72 | TYMP (0.40) | TYMPS1PR1MAPTALDH1A1KDM4E | |
| SCHEMBL30949496 | 0.72 | TDP2 (0.33) | — | |
| SCHEMBL29522030 | 0.72 | TYMP (0.40) | TYMPS1PR1MAPTALDH1A1KDM4E | |
| SCHEMBL7832944 | 0.72 | NISCH (0.58) | TYMPS1PR1ALDH1A1KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0799226-A1 | TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1997-10-08 | — | — | EP | disclosed |