Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8156344 | 0.88 | KDM4E (0.56) | KDM4EMAPTMEN1KMT2ACYP2C9 | |
| SCHEMBL8148399 | 0.83 | S1PR1 (0.46) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL5158453 | 0.82 | ALDH1A1 (0.46) | MEN1KMT2ACYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8163202 | 0.82 | FFAR1 (0.39) | MAPTCYP2C9CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL19616709 | 0.81 | MAPT (0.43) | KDM4EMAPTALDH1A1THRBL3MBTL1 | |
| SCHEMBL29493403 | 0.81 | MAPT (0.43) | KDM4EMAPTALDH1A1THRBL3MBTL1 | |
| SCHEMBL8156359 | 0.81 | MCHR1 (0.47) | CYP2C9ALDH1A1THRBPOLBGAA | |
| SCHEMBL27493434 | 0.80 | ALDH1A1 (0.48) | MAPTMEN1KMT2AALDH1A1THRB | |
| SCHEMBL8156773 | 0.80 | MEN1 (0.41) | KDM4EMAPTMEN1KMT2ACYP2D6 | |
| SCHEMBL25998819 | 0.80 | ALDH1A1 (0.45) | ALDH1A1THRBPOLBGAAGPR3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6372754-B1 | DRUGS FOR TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS OR POSTHERPIC NEURALGIA. | MERCK SHARP & DOHME LTD. | 2002-04-16 | — | — | US | disclosed |
| EP-1161419-A1 | SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000047562-A1 | SPIROCYCLIC KETONES AND THEIR USE AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2000-08-17 | — | — | WO | disclosed |
| US-6071927-A | Spiro-piperidine derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2000-06-06 | — | — | US | disclosed |