Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | KDM4A | O75164 | 1/20 | 0.53 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL181049 | 0.84 | ALDH1A1 (0.60) | ALDH1A1HSD17B10TSHRL3MBTL1TP53 | |
| SCHEMBL163568 | 0.84 | TSHR (0.66) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL8405883 | 0.84 | TSHR (0.66) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL13296381 | 0.82 | TSHR (0.64) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL30609724 | 0.82 | L3MBTL1 (0.64) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL2358945 | 0.79 | TSHR (0.67) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL27611622 | 0.79 | ALDH1A1 (0.60) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| SCHEMBL28905820 | 0.79 | NAPRT (0.46) | ALDH1A1HSD17B10TSHRCYP3A4MAPK1 | |
| Dibutyl Phthalate SCHEMBL4596231 | 0.79 | TSHR (1.00) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 | |
| Dibutyl Phthalate SCHEMBL2330224 | 0.79 | TSHR (1.00) | ALDH1A1HSD17B10TSHRL3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011138751-A2 | HETEROCYCLIC DERIVATIVES AS ALK INHIBITORS | PFIZER INC. (US) | 2011-11-10 | — | — | WO | disclosed |
| CN-1226888-A | Fluorinated 1,4-disubstituted piperidine derivatives | BANYU PHARMA CO LTD (JP) | 1999-08-25 | — | — | CN | disclosed |