Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636759 | 0.83 | TAAR1 (0.41) | TSHRLMNACYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL5951908 | 0.71 | ALDH1A1 (0.45) | TSHRLMNAALDH1A1MEN1KMT2A | |
| 1,2-Dichlorobenzene SCHEMBL28433310 | 0.70 | TSHR (0.83) | TSHRLMNACYP1A2CYP2A6ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL1155123 | 0.69 | TSHR (1.00) | TSHRLMNACYP1A2CYP2A6ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL10593125 | 0.69 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL5190 | 0.69 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL29350623 | 0.69 | — | — | |
| 1,2-Dichlorobenzene SCHEMBL29236100 | 0.69 | TSHR (0.67) | TSHRLMNACYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL5665269 | 0.69 | TSHR (0.56) | TSHRLMNACYP1A2CYP2A6ALDH1A1 | |
| 1,2-Dichlorobenzene SCHEMBL29291037 | 0.67 | TSHR (0.77) | TSHRLMNACYP1A2CYP2A6ALDH1A1 |
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-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 |
| EP-1192165-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | Bristol-Myers Squibb Pharma Company (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000077010-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |