Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1373919 | 0.79 | KMT2A (0.50) | CYP1A2CYP2C19KMT2APARP10ALDH1A1 | |
| SCHEMBL6788802 | 0.78 | LDHA (0.44) | KMT2AALDH1A1LMNAMAPT | |
| SCHEMBL27889554 | 0.77 | ACHE (0.38) | CYP2C9KMT2AMAPT | |
| SCHEMBL9773249 | 0.76 | LDHA (0.42) | CYP1A2CYP2C9CYP2C19KMT2AALDH1A1 | |
| SCHEMBL2213115 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2C9CYP2C19KMT2APARP10 | |
| SCHEMBL2215535 | 0.74 | CYP1A2 (0.33) | CYP1A2CYP2C9CYP2C19KMT2APARP10 | |
| SCHEMBL3821124 | 0.74 | TDP1 (0.44) | KMT2APARP10ALDH1A1TP53MAPT | |
| SCHEMBL3800806 | 0.73 | CA1 (0.38) | KMT2A | |
| SCHEMBL6343492 | 0.73 | KMT2A (0.32) | CYP1A2CYP2C9CYP2C19KMT2APARP10 | |
| SCHEMBL7015768 | 0.73 | MAOA (0.46) | CYP1A2CYP2C9CYP2C19KMT2AKDM4E |
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-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |