Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.43 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 3/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.40 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.40 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | EIF4E | P06730 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.37 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8369232 | 0.99 | MEN1 (0.46) | MEN1KMT2AALDH1A1SMN1; SMN2PDK2 | |
| SCHEMBL8419210 | 0.86 | TSHR (0.49) | MEN1KMT2AALDH1A1SMN1; SMN2RORB | |
| SCHEMBL8417383 | 0.86 | MEN1 (0.42) | MEN1KMT2AALDH1A1SMN1; SMN2PDK2 | |
| SCHEMBL8368909 | 0.83 | MEN1 (0.41) | MEN1KMT2AALDH1A1SMN1; SMN2PDK2 | |
| SCHEMBL8369030 | 0.83 | MEN1 (0.47) | MEN1KMT2AALDH1A1SMN1; SMN2PDK2 | |
| SCHEMBL8370044 | 0.82 | MEN1 (0.40) | MEN1KMT2AALDH1A1SMN1; SMN2PDK2 | |
| Hydrochloric Acid SCHEMBL8574952 | 0.78 | TACR2 (0.48) | MEN1KMT2A | |
| SCHEMBL8417311 | 0.77 | MEN1 (0.40) | MEN1KMT2AALDH1A1RORBTACR1 | |
| SCHEMBL8574996 | 0.73 | TACR2 (0.56) | TACR1 | |
| SCHEMBL1515709 | 0.72 | EIF4E (0.58) | RORBCHRM1PTGER1PTGER3PTGER2 |
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-5939411-A | PIPERIDINE DERIVATIVES SUBSTITUTED AT POSITION 4 WITH NEW FUNCTIONS OTHER THAN THOSE DESCRIBED PREVIOUSLY HAVE A HIGH AFFINITY FOR NEUROKININ RECEPTORS AND ARE USEFUL FOR TREATMENT OF SUBSTANCE P AND NEUROKININ DEPENDENT PATHOLOGIES | SANOFI (FR) | 1999-08-17 | — | — | US | disclosed |
| US-5861392-A | NONPEPTIDE ANTAGONISTS OF NEUROKININ A USEFUL FOR THE TREATMENT OF ASTHMA | ZENECA LIMITED (GB) | 1999-01-19 | — | — | US | disclosed |
| US-5830906-A | Piperidine derivatives, process for obtaining them and pharmaceutical compositions containing them | SANOFI (FR) | 1998-11-03 | — | — | US | disclosed |
| US-5677317-A | Lactam compounds which are useful in the treatment of asthma | ZENECA LIMITED (GB) | 1997-10-14 | — | — | US | disclosed |