Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | CLCN2 | P51788 | 4/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL87519 | 0.87 | CYP1A2 (0.57) | CYP1A2TSHRALDH1A1CASP1SMN1; SMN2 | |
| SCHEMBL11812532 | 0.86 | HPGD (0.36) | TSHRALDH1A1TP53CASP1SMN1; SMN2 | |
| SCHEMBL2034342 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRALDH1A1MEN1KMT2A | |
| Cyclohexane SCHEMBL1538047 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL3107923 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL3091854 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL982478 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRALDH1A1CASP1SMN1; SMN2 | |
| SCHEMBL250454 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL195800 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRALDH1A1MEN1KMT2A | |
| SCHEMBL8909950 | 0.83 | HTR2A (0.49) | CYP1A2TSHRALDH1A1TP53CASP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0430190-B1 | New tricyclic compounds | SYNTEX INC (US) | 1995-07-05 | — | — | EP | disclosed |
| US-5202333-A | Tricyclic 5-HT3 receptor antagonists | SYNTEX (U.S.A.) INC. (US) | 1993-04-13 | — | — | US | disclosed |
| EP-0430190-A2 | New tricyclic compounds | SYNTEX (U.S.A.) INC. (US) | 1991-06-05 | — | — | EP | disclosed |