Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL998833 | 0.84 | TSHR (0.58) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL5084004 | 0.83 | TSHR (0.56) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL11063478 | 0.82 | TSHR (0.55) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL28830923 | 0.82 | TSHR (0.55) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL11023406 | 0.81 | TSHR (0.61) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL11011055 | 0.81 | TSHR (0.61) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL8147547 | 0.81 | TSHR (0.61) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL392682 | 0.80 | ACHE (0.69) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL527814 | 0.80 | ACHE (0.69) | ACHETSHRLMNAALOX12TDP1 | |
| Toluene SCHEMBL11513042 | 0.78 | LMNA (0.50) | ACHETSHRLMNAALOX12ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-5208304-A | Nonconjugated dienes, Group IV metallocene coordination catalysts | BOARD OF TRUSTEES, LELAND STANFORD JUNIOR UNIVERSITY (US) | 1993-05-04 | — | — | US | disclosed |