Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 2/20 | 0.54 |
| ▸ | MPO | P05164 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 3/20 | 0.51 |
| ▸ | HTR1D | P28221 | 1/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 1/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.49 |
| ▸ | SPR | P35270 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8786042 | 0.86 | HTR1A (0.64) | NPSR1CYP2D6MEN1KMT2AHTR2C | |
| SCHEMBL8786070 | 0.85 | HTR2A (0.61) | KMT2AHTR2AMPOPKMTRPM8 | |
| Hydrochloric Acid SCHEMBL8806727 | 0.85 | HTR1A (0.62) | TDP1NPSR1CYP2D6MEN1KMT2A | |
| SCHEMBL9448768 | 0.84 | TRPM8 (0.54) | KDM4EALDH1A1TDP1NPSR1CYP2D6 | |
| SCHEMBL8785122 | 0.84 | HTR1A (0.65) | CYP2D6KMT2AHTR2CHTR2AMPO | |
| SCHEMBL10716628 | 0.83 | KDM4E (0.62) | KDM4EALDH1A1TDP1NPSR1LMNA | |
| SCHEMBL17871714 | 0.81 | PKM (0.49) | ALDH1A1NPSR1LMNACYP2D6MEN1 | |
| SCHEMBL18766697 | 0.80 | HTR1A (0.68) | KDM4EALDH1A1TDP1NPSR1LMNA | |
| SCHEMBL12352649 | 0.79 | KDM4E (0.69) | KDM4EALDH1A1TDP1NPSR1LMNA | |
| SCHEMBL5483044 | 0.78 | PKM (0.64) | KDM4EALDH1A1TDP1NPSR1LMNA |
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-0438230-B1 | Indole-substituted five-membered heteroaromatic compounds | MERCK SHARP & DOHME (GB) | 1997-04-23 | — | — | EP | disclosed |
| US-5317103-A | Migraine treatment | MERCK SHARP & DOHME LIMITED (GB) | 1994-05-31 | — | — | US | disclosed |
| EP-0438230-A2 | Indole-substituted five-membered heteroaromatic compounds | MERCK SHARP & DOHME LTD. (GB) | 1991-07-24 | — | — | EP | disclosed |