Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.44 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.43 |
| ▸ | ITGAL | P20701 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CRHBP | P24387 | 2/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2362220 | 0.89 | NOTUM (0.51) | NOTUMPDK1ITGB2ICAM1ITGAL | |
| SCHEMBL30395562 | 0.89 | NOTUM (0.51) | NOTUMPDK1ITGB2ICAM1ITGAL | |
| SCHEMBL11431097 | 0.79 | ALDH1A1 (0.59) | KMT2AALDH1A1LMNASMN1; SMN2HTT | |
| SCHEMBL11436384 | 0.74 | HTR2A (0.42) | NOTUMPDK1ITGB2ICAM1ITGAL | |
| SCHEMBL9228795 | 0.73 | NOTUM (0.49) | NOTUMPDK1ITGB2ICAM1ITGAL | |
| SCHEMBL5636846 | 0.73 | ITGB2 (0.48) | NOTUMPDK1ITGB2ICAM1ITGAL | |
| SCHEMBL18650412 | 0.72 | ALDH1A1 (0.40) | NOTUMKMT2AALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL29877196 | 0.72 | NOTUM (0.45) | NOTUMPDK1ITGB2ICAM1ITGAL | |
| Hydrochloric Acid SCHEMBL11437417 | 0.71 | ITGB2 (0.46) | NOTUMPDK1ITGB2ICAM1ITGAL | |
| SCHEMBL2913060 | 0.71 | NOTUM (0.44) | NOTUMPDK1ITGB2ICAM1ITGAL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | disclosed |
| US-6713471-B1 | SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-30 | — | — | US | disclosed |