Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | CDK1 | P06493 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL17889897 | 0.78 | TDP1 (0.37) | TDP1MAPK1MAPTALDH1A1EPHX2 | |
| SCHEMBL11836015 | 0.76 | ELANE (0.33) | CYP2D6MAPTALDH1A1THRBLMNA | |
| SCHEMBL2899477 | 0.73 | KDM4E (0.33) | CYP2D6MAPK1MAPTALDH1A1KMT2A | |
| SCHEMBL10754202 | 0.73 | KDM4E (0.33) | CYP2D6MAPK1MAPTALDH1A1KMT2A | |
| SCHEMBL5236191 | 0.71 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL11848680 | 0.70 | — | — | |
| SCHEMBL198495 | 0.70 | TSHR (0.46) | CYP2D6MAPK1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL11840842 | 0.70 | TSHR (0.46) | CYP2D6MAPK1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL11419818 | 0.69 | SLC29A1 (0.36) | MAPK1ALDH1A1KMT2A | |
| SCHEMBL11836346 | 0.68 | LTA4H (0.41) | TDP1KMT2ATHRBNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008057104-A1 | USE OF THERMAL REVERSIBLE ASSOCIATIONS FOR ENHANCED POLYMER INTERACTIONS | BAUSCH & LOMB INCORPORATED (US) | 2008-05-15 | — | — | WO | disclosed |